Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G-protein coupled estrogen receptor 1' and Ligand = 'BDBM288667'   

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))	BDBM288667 ((E)-3-(3,5-difluoro-4-((1R,3R/1S,3S)-8-fluoro-2-(2...) Show SMILES CC1Cc2c(oc3c(F)cccc23)C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F Show InChI InChI=1S/C25H23F4NO3/c1-13-9-16-15-5-4-6-17(26)23(15)33-24(16)22(30(13)12-25(2,3)29)21-18(27)10-14(11-19(21)28)7-8-20(31)32/h4-8,10-11,13,22H,9,12H2,1-3H3,(H,31,32)/b8-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.97	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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