Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G-protein coupled estrogen receptor 1' and Ligand = 'BDBM288644'   

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))	BDBM288644 ((E)-3-(4-((1S,3R/1R,3S)-6-(1-cyclopropyl-1H-pyrazo...) Show SMILES CC1Cc2cc(ccc2C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)-c1cnn(c1)C1CC1 Show InChI InChI=1S/C29H30F3N3O2/c1-17-10-20-13-19(21-14-33-35(15-21)22-6-7-22)5-8-23(20)28(34(17)16-29(2,3)32)27-24(30)11-18(12-25(27)31)4-9-26(36)37/h4-5,8-9,11-15,17,22,28H,6-7,10,16H2,1-3H3,(H,36,37)/b9-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.840	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
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