Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1S,10R,11S,14S,15S)-14-(1-{[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-20-(2-{4-[(1S,10R,11S,14S,15S)-5-({2-[3,6-bis(ethylamino)-2,7-dimethyl-9,10-dihydroanthracen-9-yl]phenyl}carbonyloxy)-14-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-14-yl]-1H-1,2,3-triazol-1-yl}ethyl)-15,25,30,35-tetrakis({4-[(1S,10R,11S,14S,15S)-5-({2-[3,6-bis(ethylamino)-2,7-dimethyl-9,10-dihydroanthracen-9-yl]phenyl}carbonyloxy)-14-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-14-yl]-1H-1,2,3-triazol-1-yl}methyl)-10-({4-[(1S,10R,11S,14S,15S)-5-({2-[6-(ethylamino)-3-[(E)-2-(ethylamino)ethenyl]-7-methyl-2-(2-methylprop-1-en-1-yl)-1,4-dihydronaphthalen-1-yl]phenyl}carbonyloxy)-14-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-14-yl]-1H-1,2,3-triazol-1-yl}methyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}.2^{23,26}.2^{28,31}]nonatetracontan-5-yl]methyl}-1H-1,2,3-triazol-4-yl)-14-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-5-yl 2-[3,6-bis(ethylamino)-2,7-dimethyl-9,10-dihydroanthracen-9-yl]benzoate
    Show/Hide
 PubChem ID
CID: 46231228
Canonical SMILES
CCN/C=C/C1=C(C=C(C)C)C(c2ccccc2C(=O)Oc2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@@]3(C)[C@H]2CC[C@@]3(O)c2cn(C[C@H]3O[C@@H]4O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]%10[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@H]4O)O[C@@H]%10Cn3cc([C@]4(O)CC[C@H]%10[C@@H]%11CCc%12cc(OC(=O)c%13ccccc%13C%13c%14cc(C)c(NCC)cc%14Cc%14cc(NCC)c(C)cc%14%13)ccc%12[C@H]%11CC[C@@]%104C)nn3)O[C@@H]9CCn3cc([C@]4(O)CC[C@H]9[C@@H]%10CCc%11cc(OC(=O)c%12ccccc%12C%12c%13cc(C)c(NCC)cc%13Cc%13cc(NCC)c(C)cc%13%12)ccc%11[C@H]%10CC[C@@]94C)nn3)O[C@@H]8Cn3cc([C@]4(O)CC[C@H]8[C@@H]9CCc%10cc(OC(=O)c%11ccccc%11C%11c%12cc(C)c(NCC)cc%12Cc%12cc(NCC)c(C)cc%12%11)ccc%10[C@H]9CC[C@@]84C)nn3)O[C@@H]7Cn3cc([C@]4(O)CC[C@H]7[C@@H]8CCc9cc(OC(=O)c%10ccccc%10C%10c%11cc(C)c(NCC)cc%11Cc%11cc(NCC)c(C)cc%11%10)ccc9[C@H]8CC[C@@]74C)nn3)O[C@@H]6Cn3cc([C@]4(O)CC[C@H]6[C@@H]7CCc8cc(OC(=O)c9ccccc9C9c%10cc(C)c(NCC)cc%10Cc%10cc(NCC)c(C)cc%109)ccc8[C@H]7CC[C@@]64C)nn3)O[C@@H]5Cn3cc([C@]4(O)CC[C@H]5[C@@H]6CCc7cc(OC(=O)c8ccccc8C8c9cc(C)c(NCC)cc9Cc9cc(NCC)c(C)cc98)ccc7[C@H]6CC[C@@]54C)nn3)nn2)c2cc(C)c(NCC)cc2C1
    Show/Hide
Compound Formula C373H433N35O49
Compound Structure
Protein Name
 Protein Info 
Estrogen receptor
Protein Classification
Transcription factor
>
Nuclear receptor
>
Nuclear hormone receptor subfamily 3
>
Nuclear hormone receptor subfamily 3 group A
>
Nuclear hormone receptor subfamily 3 group A member 1
Uniprot ID
P03372
Gene Name
ESR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000211 Ishikawa
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 2600 nM
   TI
   LI
   LO
   TS