Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G-protein coupled estrogen receptor 1' and Ligand = 'BDBM288616'   

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))	BDBM288616 (US10087191, Example 21) Show SMILES CCn1cc(cn1)-c1ccc2[C@H](N(CC(C)(C)F)[C@H](C)Cc2c1)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C28H30F3N3O2/c1-5-33-15-21(14-32-33)19-7-8-22-20(13-19)10-17(2)34(16-28(3,4)31)27(22)26-23(29)11-18(12-24(26)30)6-9-25(35)36/h6-9,11-15,17,27H,5,10,16H2,1-4H3,(H,35,36)/b9-6+/t17-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.320	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