General Information of the Protein
Protein ID
PT04302
Protein Name
Toxin B
Gene Name
TCDB
Secondarily
Gene Name
toxB
Sequence
MSLVNRKQLEKMANVRFRTQEDEYVAILDALEEYHNMSENTVVEKYLKLKDINSLTDIYIDTYKKSGRNKALKKFKEYLVTEVLELKNNNLTPVEKNLHFVWIGGQINDTAINYINQWKDVNSDYNVNVFYDSNAFLINTLKKTVVESAINDTLESFRENLNDPRFDYNKFFRKRMEIIYDKQKNFINYYKAQREENPELIIDDIVKTYLSNEYSKEIDELNTYIEESLNKITQNSGNDVRNFEEFKNGESFNLYEQELVERWNLAAASDILRISALKEIGGMYLDVDMLPGIQPDLFESIEKPSSVTVDFWEMTKLEAIMKYKEYIPEYTSEHFDMLDEEVQSSFESVLASKSDKSEIFSSLGDMEASPLEVKIAFNSKGIINQGLISVKDSYCSNLIVKQIENRYKILNNSLNPAISEDNDFNTTTNTFIDSIMAEANADNGRFMMELGKYLRVGFFPDVKTTINLSGPEAYAAAYQDLLMFKEGSMNIHLIEADLRNFEISKTNISQSTEQEMASLWSFDDARAKAQFEEYKRNYFEGSLGEDDNLDFSQNIVVDKEYLLEKISSLARSSERGYIHYIVQLQGDKISYEAACNLFAKTPYDSVLFQKNIEDSEIAYYYNPGDGEIQEIDKYKIPSIISDRPKIKLTFIGHGKDEFNTDIFAGFDVDSLSTEIEAAIDLAKEDISPKSIEINLLGCNMFSYSINVEETYPGKLLLKVKDKISELMPSISQDSIIVSANQYEVRINSEGRRELLDHSGEWINKEESIIKDISSKEYISFNPKENKITVKSKNLPELSTLLQEIRNNSNSSDIELEEKVMLTECEINVISNIDTQIVEERIEEAKNLTSDSINYIKDEFKLIESISDALCDLKQQNELEDSHFISFEDISETDEGFSIRFINKETGESIFVETEKTIFSEYANHITEEISKIKGTIFDTVNGKLVKKVNLDTTHEVNTLNAAFFIQSLIEYNSSKESLSNLSVAMKVQVYAQLFSTGLNTITDAAKVVELVSTALDETIDLLPTLSEGLPIIATIIDGVSLGAAIKELSETSDPLLRQEIEAKIGIMAVNLTTATTAIITSSLGIASGFSILLVPLAGISAGIPSLVNNELVLRDKATKVVDYFKHVSLVETEGVFTLLDDKIMMPQDDLVISEIDFNNNSIVLGKCEIWRMEGGSGHTVTDDIDHFFSAPSITYREPHLSIYDVLEVQKEELDLSKDLMVLPNAPNRVFAWETGWTPGLRSLENDGTKLLDRIRDNYEGEFYWRYFAFIADALITTLKPRYEDTNIRINLDSNTRSFIVPIITTEYIREKLSYSFYGSGGTYALSLSQYNMGINIELSESDVWIIDVDNVVRDVTIESDKIKKGDLIEGILSTLSIEENKIILNSHEINFSGEVNGSNGFVSLTFSILEGINAIIEVDLLSKSYKLLISGELKILMLNSNHIQQKIDYIGFNSELQKNIPYSFVDSEGKENGFINGSTKEGLFVSELPDVVLISKVYMDDSKPSFGYYSNNLKDVKVITKDNVNILTGYYLKDDIKISLSLTLQDEKTIKLNSVHLDESGVAEILKFMNRKGNTNTSDSLMSFLESMNIKSIFVNFLQSNIKFILDANFIISGTTSIGQFEFICDENDNIQPYFIKFNTLETNYTLYVGNRQNMIVEPNYDLDDSGDISSTVINFSQKYLYGIDSCVNKVVISPNIYTDEINITPVYETNNTYPEVIVLDANYINEKINVNINDLSIRYVWSNDGNDFILMSTSEENKVSQVKIRFVNVFKDKTLANKLSFNFSDKQDVPVSEIILSFTPSYYEDGLIGYDLGLVSLYNEKFYINNFGMMVSGLIYINDSLYYFKPPVNNLITGFVTVGDDKYYFNPINGGAASIGETIIDDKNYYFNQSGVLQTGVFSTEDGFKYFAPANTLDENLEGEAIDFTGKLIIDENIYYFDDNYRGAVEWKELDGEMHYFSPETGKAFKGLNQIGDYKYYFNSDGVMQKGFVSINDNKHYFDDSGVMKVGYTEIDGKHFYFAENGEMQIGVFNTEDGFKYFAHHNEDLGNEEGEEISYSGILNFNNKIYYFDDSFTAVVGWKDLEDGSKYYFDEDTAEAYIGLSLINDGQYYFNDDGIMQVGFVTINDKVFYFSDSGIIESGVQNIDDNYFYIDDNGIVQIGVFDTSDGYKYFAPANTVNDNIYGQAVEYSGLVRVGEDVYYFGETYTIETGWIYDMENESDKYYFNPETKKACKGINLIDDIKYYFDEKGIMRTGLISFENNNYYFNENGEMQFGYINIEDKMFYFGEDGVMQIGVFNTPDGFKYFAHQNTLDENFEGESINYTGWLDLDEKRYYFTDEYIAATGSVIIDGEEYYFDPDTAQLVISE
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Organism
Clostridioides difficile, Peptoclostridium difficile
Protein Classification
Enzyme
>
Hydrolase
Function
Precursor of a cytotoxin that targets and disrupts the colonic epithelium, inducing the host inflammatory and innate immune responses and resulting in diarrhea and pseudomembranous colitis (PubMed:20844489, PubMed:24919149). TcdB constitutes the main toxin that mediates the pathology of C.difficile infection, an opportunistic pathogen that colonizes the colon when the normal gut microbiome is disrupted (PubMed:19252482, PubMed:20844489). Compared to TcdA, TcdB is more virulent and more important for inducing the host inflammatory and innate immune responses (PubMed:19252482, PubMed:24919149). This form constitutes the precursor of the toxin: it enters into host cells and mediates autoprocessing to release the active toxin (Glucosyltransferase TcdB) into the host cytosol (PubMed:10768933, PubMed:11152463, PubMed:12941936, PubMed:17334356, PubMed:20498856). Targets colonic epithelia by binding to the frizzled receptors FZD1, FZD2 and FZD7, and enters host cells via clathrin-mediated endocytosis (PubMed:27680706). Frizzled receptors constitute the major host receptors in the colonic epithelium, but other receptors, such as CSPG4 or NECTIN3/PVRL3, have been identified (PubMed:25547119, PubMed:26038560, PubMed:27680706). Binding to carbohydrates and sulfated glycosaminoglycans on host cell surface also contribute to entry into cells (By similarity). Once entered into host cells, acidification in the endosome promotes the membrane insertion of the translocation region and formation of a pore, leading to translocation of the GT44 and peptidase C80 domains across the endosomal membrane (PubMed:11152463, PubMed:12941936, PubMed:24567384). This activates the peptidase C80 domain and autocatalytic processing, releasing the N-terminal part (Glucosyltransferase TcdB), which constitutes the active part of the toxin, in the cytosol (PubMed:17334356, PubMed:27571750).
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Uniprot ID
Primary ID:
P18177

Secondarily ID:
M4NW36
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Subcellular Location
Secreted
Host endosome membrane
Map of Molecular Bioactivity Related to the Protein
Map of Molecular Bioactivity Related to the Protein

Protein
Cell Line
Compound

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Protein
Cell Line ID: CL000011 , CHO
Compound ID Compound Name Compound Formula
CP0404225
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methylpyridin-2-yl)benzamide
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C29H24ClN5O3
 2
1
IC50 = 1 nM
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2
IC50 = 170 nM
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CP0450807
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methoxypyrimidin-2-yl)benzamide
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C28H23ClN6O4
 2
1
IC50 = 3 nM
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2
IC50 = 520 nM
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CP0323280
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methylpyridin-2-yl)benzamide
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C29H23Cl2N5O3
 1
1
IC50 = 24 nM
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CP0517646
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methoxypyrimidin-2-yl)-2-methylbenzamide
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C29H25ClN6O4
 1
1
IC50 = 29 nM
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CP0536850
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methoxypyridin-2-yl)benzamide
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C29H24ClN5O4
 1
1
IC50 = 43 nM
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CP0424464
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-cyanopyridin-2-yl)benzamide
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C29H20Cl2N6O3
 1
1
IC50 = 52 nM
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CP0436015
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methoxypyrimidin-2-yl)benzamide
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C28H22Cl2N6O4
 1
1
IC50 = 53 nM
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CP0334651
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methoxypyridin-2-yl)benzamide
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C29H23Cl2N5O4
 1
1
IC50 = 61 nM
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CP0366069
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-2-methyl-N-(5-methylpyridin-2-yl)benzamide
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C30H26ClN5O3
 1
1
IC50 = 61 nM
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CP0558003
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-fluoropyridin-2-yl)-2-methylbenzamide
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C29H23ClFN5O3
 1
1
IC50 = 62 nM
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CP0469329
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methoxypyridin-2-yl)-2-methylbenzamide
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C30H26ClN5O4
 1
1
IC50 = 71 nM
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CP0225381
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-cyanopyridin-2-yl)-2-methylbenzamide
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C30H23ClN6O3
 1
1
IC50 = 78 nM
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CP0160362
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide
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C29H25ClN6O3
 1
1
IC50 = 130 nM
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CP0222526
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methylpyrimidin-2-yl)benzamide
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C28H22Cl2N6O3
 1
1
IC50 = 130 nM
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CP0436014
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-fluoropyridin-2-yl)benzamide
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C28H20Cl2FN5O3
 1
1
IC50 = 130 nM
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CP0459069
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-2-methoxy-N-(5-methoxypyridin-2-yl)benzamide
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C30H26ClN5O5
 1
1
IC50 = 130 nM
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CP0537912
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-2-methyl-N-[5-(trifluoromethyl)pyridin-2-yl]benzamide
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C30H23ClF3N5O3
 1
1
IC50 = 170 nM
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CP0517639
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methylpyrazin-2-yl)benzamide
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C28H22Cl2N6O3
 1
1
IC50 = 220 nM
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CP0528992
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-pyridin-2-ylbenzamide
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C28H22ClN5O3
 1
1
IC50 = 230 nM
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CP0557317
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-[5-(trifluoromethyl)pyridin-2-yl]benzamide
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C29H20Cl2F3N5O3
 1
1
IC50 = 250 nM
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CP0517648
(3R)-8-chloro-4-[[4-(1-methylpyrrolo[3,2-b]pyridine-3-carbonyl)phenyl]methyl]-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
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C31H24ClN5O3
 1
1
IC50 = 330 nM
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CP0467677
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methoxypyrazin-2-yl)benzamide
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C28H22Cl2N6O4
 1
1
IC50 = 490 nM
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CP0436013
(3R)-8-chloro-4-[[4-(imidazo[1,2-a]pyridine-8-carbonyl)phenyl]methyl]-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
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C30H22ClN5O3
 1
1
IC50 = 660 nM
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CP0436016
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-2-methoxy-N-[5-(trifluoromethyl)pyridin-2-yl]benzamide
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C30H23ClF3N5O4
 1
1
IC50 = 660 nM
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CP0210833
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-fluoropyridin-2-yl)-2-methoxybenzamide
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C29H23ClFN5O4
 1
1
IC50 = 1100 nM
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CP0147048
(3R)-8-chloro-3-(pyridin-2-ylmethyl)-4-[[4-([1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)phenyl]methyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
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C29H21ClN6O3
 1
1
IC50 = 1600 nM
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CP0147046
(3R)-8-chloro-3-(pyridin-2-ylmethyl)-4-[[4-(1H-pyrrolo[3,2-b]pyridine-3-carbonyl)phenyl]methyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
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C30H22ClN5O3
 1
1
IC50 = 1800 nM
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CP0436012
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-2-methoxy-N-(5-methylpyridin-2-yl)benzamide
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C30H26ClN5O4
 1
1
IC50 = 1900 nM
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CP0160363
(3R)-8-chloro-4-[[4-(pyridine-2-carbonyl)phenyl]methyl]-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
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C28H21ClN4O3
 1
1
IC50 = 4200 nM
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CP0346198
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-3-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-pyridin-2-ylbenzamide
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C28H22ClN5O3
 1
1
IC50 = 4500 nM
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CP0532436
(3R)-8-chloro-4-[[4-(5-methylpyridine-2-carbonyl)phenyl]methyl]-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
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C29H23ClN4O3
 1
1
IC50 = 5900 nM
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CP0536849
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-3-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-pyrazin-2-ylbenzamide
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C27H21ClN6O3
 1
1
IC50 = 13000 nM
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CP0189045
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-3-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
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C27H22ClN5O4
 1
1
IC50 = 19000 nM
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CP0352461
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-3-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(1,3-thiazol-2-yl)benzamide
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C26H20ClN5O3S
 1
1
IC50 = 20000 nM
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CP0459070
(3R)-8-chloro-4-[[4-(1-methylimidazole-4-carbonyl)phenyl]methyl]-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
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C27H22ClN5O3
 1
1
IC50 > 100000 nM
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CP0558033
(3R)-8-chloro-4-[[4-(1-methylimidazole-2-carbonyl)phenyl]methyl]-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
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C27H22ClN5O3
 1
1
IC50 > 100000 nM
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Biochemical Assays
Compound ID Compound Name Compound Formula
CP0404225
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methylpyridin-2-yl)benzamide
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C29H24ClN5O3
 1
1 IC50 = 1 nM
CP0147046
(3R)-8-chloro-3-(pyridin-2-ylmethyl)-4-[[4-(1H-pyrrolo[3,2-b]pyridine-3-carbonyl)phenyl]methyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
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C30H22ClN5O3
 1
1 IC50 = 2 nM
CP0528992
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-pyridin-2-ylbenzamide
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C28H22ClN5O3
 1
1 IC50 = 3 nM
CP0536850
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methoxypyridin-2-yl)benzamide
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C29H24ClN5O4
 1
1 IC50 = 3 nM
CP0225381
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-cyanopyridin-2-yl)-2-methylbenzamide
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C30H23ClN6O3
 1
1 IC50 = 3 nM
CP0160362
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide
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C29H25ClN6O3
 1
1 IC50 = 4 nM
CP0222526
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methylpyrimidin-2-yl)benzamide
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C28H22Cl2N6O3
 1
1 IC50 = 4 nM
CP0436014
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-fluoropyridin-2-yl)benzamide
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C28H20Cl2FN5O3
 1
1 IC50 = 4 nM
CP0436015
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methoxypyrimidin-2-yl)benzamide
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C28H22Cl2N6O4
 1
1 IC50 = 4 nM
CP0517646
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methoxypyrimidin-2-yl)-2-methylbenzamide
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C29H25ClN6O4
 1
1 IC50 = 4 nM
CP0323280
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methylpyridin-2-yl)benzamide
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C29H23Cl2N5O3
 1
1 IC50 = 5 nM
CP0334651
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methoxypyridin-2-yl)benzamide
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C29H23Cl2N5O4
 1
1 IC50 = 5 nM
CP0459069
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-2-methoxy-N-(5-methoxypyridin-2-yl)benzamide
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C30H26ClN5O5
 1
1 IC50 = 5 nM
CP0517648
(3R)-8-chloro-4-[[4-(1-methylpyrrolo[3,2-b]pyridine-3-carbonyl)phenyl]methyl]-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
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C31H24ClN5O3
 1
1 IC50 = 6 nM
CP0450807
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methoxypyrimidin-2-yl)benzamide
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C28H23ClN6O4
 1
1 IC50 = 7 nM
CP0366069
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-2-methyl-N-(5-methylpyridin-2-yl)benzamide
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C30H26ClN5O3
 1
1 IC50 = 7 nM
CP0424464
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-cyanopyridin-2-yl)benzamide
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C29H20Cl2N6O3
 1
1 IC50 = 8 nM
CP0436013
(3R)-8-chloro-4-[[4-(imidazo[1,2-a]pyridine-8-carbonyl)phenyl]methyl]-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
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C30H22ClN5O3
 1
1 IC50 = 8 nM
CP0558003
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-fluoropyridin-2-yl)-2-methylbenzamide
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C29H23ClFN5O3
 1
1 IC50 = 8 nM
CP0346198
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-3-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-pyridin-2-ylbenzamide
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C28H22ClN5O3
 1
1 IC50 = 9 nM
CP0436012
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-2-methoxy-N-(5-methylpyridin-2-yl)benzamide
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C30H26ClN5O4
 1
1 IC50 = 9 nM
CP0517639
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methylpyrazin-2-yl)benzamide
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C28H22Cl2N6O3
 1
1 IC50 = 9 nM
CP0469329
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methoxypyridin-2-yl)-2-methylbenzamide
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C30H26ClN5O4
 1
1 IC50 = 10 nM
CP0210833
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-fluoropyridin-2-yl)-2-methoxybenzamide
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C29H23ClFN5O4
 1
1 IC50 = 14 nM
CP0557317
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-[5-(trifluoromethyl)pyridin-2-yl]benzamide
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C29H20Cl2F3N5O3
 1
1 IC50 = 18 nM
CP0537912
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-2-methyl-N-[5-(trifluoromethyl)pyridin-2-yl]benzamide
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C30H23ClF3N5O3
 1
1 IC50 = 20 nM
CP0467677
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methoxypyrazin-2-yl)benzamide
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C28H22Cl2N6O4
 1
1 IC50 = 21 nM
CP0532436
(3R)-8-chloro-4-[[4-(5-methylpyridine-2-carbonyl)phenyl]methyl]-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
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C29H23ClN4O3
 1
1 IC50 = 38 nM
CP0436016
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-2-methoxy-N-[5-(trifluoromethyl)pyridin-2-yl]benzamide
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C30H23ClF3N5O4
 1
1 IC50 = 41 nM
CP0352461
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-3-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(1,3-thiazol-2-yl)benzamide
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C26H20ClN5O3S
 1
1 IC50 = 42 nM
CP0160363
(3R)-8-chloro-4-[[4-(pyridine-2-carbonyl)phenyl]methyl]-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
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C28H21ClN4O3
 1
1 IC50 = 45 nM
CP0189045
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-3-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
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C27H22ClN5O4
 1
1 IC50 = 50 nM
CP0147048
(3R)-8-chloro-3-(pyridin-2-ylmethyl)-4-[[4-([1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)phenyl]methyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
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C29H21ClN6O3
 1
1 IC50 = 61 nM
CP0536849
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-3-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-pyrazin-2-ylbenzamide
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C27H21ClN6O3
 1
1 IC50 = 78 nM
CP0558033
(3R)-8-chloro-4-[[4-(1-methylimidazole-2-carbonyl)phenyl]methyl]-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
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C27H22ClN5O3
 1
1 IC50 = 190 nM
CP0459070
(3R)-8-chloro-4-[[4-(1-methylimidazole-4-carbonyl)phenyl]methyl]-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
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C27H22ClN5O3
 1
1 IC50 = 230 nM