Protein Information

General Information of the Protein

Protein ID	PT00826
Protein Name	Cholinesterase
Secondarily Protein Name	Acylcholine acylhydrolase Butyrylcholine esterase Choline esterase II Pseudocholinesterase
Gene Name	BCHE
Secondarily Gene Name	CHE1
Sequence	MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDVVGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMTKLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCVGL Show/Hide
Organism	Homo sapiens, Human
Protein Classification	Enzyme > Hydrolase
Function	Esterase with broad substrate specificity. Contributes to the inactivation of the neurotransmitter acetylcholine. Can degrade neurotoxic organophosphate esters. Show/Hide
Uniprot ID	Primary ID: P06276 Secondarily ID: A8K7P8 Show/Hide
Ensembl ID	ENSG00000114200
HGNC ID	HGNC:983
Subcellular Location	Secreted

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: CL000006 , HEK293

Cell Line Info

Compound ID	Compound Name	Compound Formula
CP0140154 Compound Info	3-(1-benzylpiperidin-4-yl)-2-[(8-hydroxyquinolin-2-yl)methyl-prop-2-ynylamino]propanenitrile Show/Hide	C28H30N4O	1
1	IC50 = 2 nM Bioactivity Info	TI LI LO TS
CP0065399 Compound Info	2-[[3-(1-benzylpiperidin-4-yl)propyl-prop-2-ynylamino]methyl]quinolin-8-ol Show/Hide	C28H33N3O	1
1	IC50 = 23 nM Bioactivity Info	TI LI LO TS
CP0065400 Compound Info	2-(1-benzylpiperidin-4-yl)-2-[(8-hydroxyquinolin-2-yl)methyl-prop-2-ynylamino]acetonitrile Show/Hide	C27H28N4O	1
1	IC50 = 30 nM Bioactivity Info	TI LI LO TS
CP0065401 Compound Info	4-(1-benzylpiperidin-4-yl)-2-[(8-hydroxyquinolin-2-yl)methyl-prop-2-ynylamino]butanenitrile Show/Hide	C29H32N4O	7
1	IC50 = 39 nM Bioactivity Info	TI LI LO TS
2	Ki = 52 nM Bioactivity Info	TI LI LO TS
3	Ki = 52.5 nM Bioactivity Info	TI LI LO TS
4	Km = 249000 nM Bioactivity Info	TI LI LO TS
5	Km = 289000 nM Bioactivity Info	TI LI LO TS
6	Km = 456000 nM Bioactivity Info	TI LI LO TS
7	Km = 1242000 nM Bioactivity Info	TI LI LO TS
CP0072055 Compound Info	2-[[(1-benzylpiperidin-4-yl)methyl-prop-2-ynylamino]methyl]quinolin-8-ol Show/Hide	C26H29N3O	1
1	IC50 = 64 nM Bioactivity Info	TI LI LO TS
CP0072054 Compound Info	2-[[2-(1-benzylpiperidin-4-yl)ethyl-prop-2-ynylamino]methyl]quinolin-8-ol Show/Hide	C27H31N3O	1
1	IC50 = 79 nM Bioactivity Info	TI LI LO TS
CP0179369 Compound Info	4-(1-benzylpiperidin-4-yl)-2-[(8-hydroxyquinolin-5-yl)methyl-prop-2-ynylamino]butanenitrile Show/Hide	C29H32N4O	1
1	IC50 = 2100 nM Bioactivity Info	TI LI LO TS
CP0673695 Compound Info	N-{[5-(3-(1-Benzylpiperidin-4-yl)propoxy)-1-methyl-1Hindol-2-yl]methyl}-N-methylprop-2-yn-1-amine Show/Hide	C29H37N3O	1
1	IC50 = 3300 nM Bioactivity Info	TI LI LO TS
CP0381947 Compound Info	N-methyl-N-[[1-methyl-5-[3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propoxy]indol-2-yl]methyl]prop-2-yn-1-amine Show/Hide	C30H39N3O	1
1	IC50 = 4900 nM Bioactivity Info	TI LI LO TS
CP0441704 Compound Info	[5-[[4-[3-[1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-yl]oxypropyl]piperidin-1-yl]methyl]quinolin-8-yl] N,N-dimethylcarbamate Show/Hide	C35H43N5O3	1
1	IC50 = 5900 nM Bioactivity Info	TI LI LO TS
CP0400674 Compound Info	N-[[5-[3-(1-benzylpiperidin-4-yl)propoxy]-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine Show/Hide	C28H35N3O	1
1	IC50 = 7100 nM Bioactivity Info	TI LI LO TS
CP0381952 Compound Info	N-[[5-[3-(1-benzylpiperidin-4-yl)propoxy]-1H-indol-2-yl]methyl]prop-2-yn-1-amine Show/Hide	C27H33N3O	1
1	IC50 = 7300 nM Bioactivity Info	TI LI LO TS
CP0013001 Compound Info	(+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-indan-1-one Show/Hide	C24H29NO3	2
1	IC50 = 7500 nM Bioactivity Info	TI LI LO TS
2	IC50 = 8200 nM Bioactivity Info	TI LI LO TS
CP0089596 Compound Info	Prochelators, 2 Show/Hide	C17H19N3O2	1
1	IC50 = 7900 nM Bioactivity Info	TI LI LO TS
CP0441703 Compound Info	ethyl 5-[3-(1-benzylpiperidin-4-yl)propoxy]-1H-indole-2-carboxylate Show/Hide	C26H32N2O3	1
1	IC50 = 9700 nM Bioactivity Info	TI LI LO TS
CP0400673 Compound Info	[5-[3-(1-benzylpiperidin-4-yl)propoxy]-1H-indol-2-yl]methanol Show/Hide	C24H30N2O2	1
1	IC50 = 31200 nM Bioactivity Info	TI LI LO TS
CP0441705 Compound Info	N-[[5-[3-(1-benzylpiperidin-4-yl)propoxy]-1H-indol-2-yl]methyl]prop-2-en-1-amine Show/Hide	C27H35N3O	1
1	IC50 = 40600 nM Bioactivity Info	TI LI LO TS

Biochemical Assays

Compound ID	Compound Name	Compound Formula
CP0013001 Compound Info	(+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-indan-1-one Show/Hide	C24H29NO3	50
1	IC50 = 14 nM
2	IC50 = 20 nM
3	IC50 = 117 nM
4	IC50 = 130 nM
5	IC50 = 930 nM
6	IC50 = 1400 nM
7	IC50 = 2000 nM
8	IC50 = 2420 nM
9	IC50 = 2500 nM
10	IC50 = 2580 nM
11	IC50 = 2740 nM
12	IC50 = 2900 nM
13	IC50 = 3130 nM
14	IC50 = 3170 nM
15	IC50 = 3200 nM
16	IC50 = 3600 nM
17	IC50 = 3900 nM
18	IC50 = 4150 nM
19	IC50 = 4220 nM
20	IC50 = 4260 nM
21	IC50 = 4380 nM
22	IC50 = 4760 nM
23	IC50 = 4800 nM
24	IC50 = 5120 nM
25	IC50 = 5400 nM
26	IC50 = 5580 nM
27	IC50 = 5600 nM
28	IC50 = 6370 nM
29	IC50 = 6400 nM
30	IC50 = 6500 nM
31	IC50 = 6920 nM
32	IC50 = 7000 nM
33	IC50 = 7100 nM
34	IC50 = 7300 nM
35	IC50 = 7400 nM
36	IC50 = 7420 nM
37	IC50 = 7585.78 nM
38	IC50 = 7600 nM
39	IC50 = 8200 nM
40	IC50 = 8280 nM
41	IC50 = 8700 nM
42	IC50 = 9140 nM
43	IC50 = 10050 nM
44	IC50 = 10240 nM
45	IC50 = 10660 nM
46	IC50 = 13600 nM
47	IC50 = 14400 nM
48	IC50 = 15240 nM
49	IC50 > 5000 nM
50	Ki = 12540 nM
CP0673695 Compound Info	N-{[5-(3-(1-Benzylpiperidin-4-yl)propoxy)-1-methyl-1Hindol-2-yl]methyl}-N-methylprop-2-yn-1-amine Show/Hide	C29H37N3O	2
1	IC50 = 1700 nM
2	IC50 = 1820 nM

Clinical Information about the Protein

Target 1 ( Cholinesterase (BCHE) )

Target Type	Successful Target
Disease	4 Target-related Diseases				4
1	Spasm [ICD-11: MB47.3]
2	Pain [ICD-11: MG30-MG3Z]
3	Alzheimer disease [ICD-11: 8A20]
4	Cognitive impairment [ICD-11: 6D71]
Approved Drug(s)	2 Approved Drugs				2
1	Hexafluronium bromide	Drug Info	Approved	Spasm
2	MEPTAZINOL	Drug Info	Approved	Pain
Clinical Trial Drug(s)	2 Clinical Trial Drugs				2
1	(-)-Phenserine	Drug Info	Phase 3	Alzheimer disease
2	Eptastigmine	Drug Info	Phase 3	Cognitive impairment

Target 2 ( HUMAN cholinesterase (BCHE) )

Target Type	Unknown Type Target

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han