BDBM288621 (E)-3-(3,5-difluoro-4-((1S,3R/1R,3 S)-2-(2-fluoro-2-methylpropyl)-3-methyl-6-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinolin-1-yl)phenyl)acrylic acid::US10087191, Example 28

SMILES: CC1Cc2cc(ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)-c1cccnc1

InChI Key: InChIKey=PZIJVZDKKQUGLE-RMKNXTFCSA-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 = 288621   

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))	BDBM288621 ((E)-3-(3,5-difluoro-4-((1S,3R/1R,3 S)-2-(2-fluoro-...) Show SMILES CC1Cc2cc(ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)-c1cccnc1 Show InChI InChI=1S/C28H27F3N2O2/c1-17-11-21-14-19(20-5-4-10-32-15-20)7-8-22(21)27(33(17)16-28(2,3)31)26-23(29)12-18(13-24(26)30)6-9-25(34)35/h4-10,12-15,17,27H,11,16H2,1-3H3,(H,34,35)/b9-6+	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.28	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