BDBM288651 (E)-3-(3,5-difluoro-4-((1S,3R/1R,3S)-2-(2-fluoro-2-methylpropyl)-3-methyl-6-(2-methylbenzo[d]thiazol-6-yl)-1,2,3,4-tetrahydroisoquinolin-1-yl)phenyl)acrylic acid::US10087191, Example 66

SMILES: CC1Cc2cc(ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)-c1ccc2nc(C)sc2c1

InChI Key: InChIKey=MVMYXIIWXPOXHV-BJMVGYQFSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 288651   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
G-protein coupled estrogen receptor 1 (Homo sapiens (Human))	BDBM288651 ((E)-3-(3,5-difluoro-4-((1S,3R/1R,3S)-2-(2-fluoro-2...) Show SMILES CC1Cc2cc(ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)-c1ccc2nc(C)sc2c1 Show InChI InChI=1S/C31H29F3N2O2S/c1-17-11-22-14-20(21-7-9-26-27(15-21)39-18(2)35-26)6-8-23(22)30(36(17)16-31(3,4)34)29-24(32)12-19(13-25(29)33)5-10-28(37)38/h5-10,12-15,17,30H,11,16H2,1-4H3,(H,37,38)/b10-5+	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.25	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...				US Patent US10087191 (2018) BindingDB Entry DOI: 10.7270/Q2BP04T1
					More data for this Ligand-Target Pair