Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G-protein coupled estrogen receptor 1' and Ligand = 'BDBM288649'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM288649 ((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)-c1ccc2ncccc2c1 Show InChI InChI=1S/C32H29F3N2O2/c1-19-13-24-17-21(22-8-10-28-23(16-22)5-4-12-36-28)7-9-25(24)31(37(19)18-32(2,3)35)30-26(33)14-20(15-27(30)34)6-11-29(38)39/h4-12,14-17,19,31H,13,18H2,1-3H3,(H,38,39)/b11-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	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