Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor [Y537S]' and Ligand = 'BDBM263678'   

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
Estrogen receptor [Y537S] (Homo sapiens (Human))	BDBM263678 (6-(4- chloro-2- fluoro- phenyl)-5- [4-[(3S)-1- (3-...) Show SMILES Oc1ccc2c(CCCC(c3ccc(Cl)cc3F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:18| Show InChI InChI=1S/C30H30ClF2NO2/c31-22-7-11-27(29(33)18-22)28-4-1-3-21-17-23(35)8-12-26(21)30(28)20-5-9-24(10-6-20)36-25-13-16-34(19-25)15-2-14-32/h5-12,17-18,25,35H,1-4,13-16,19H2/t25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	7.4	25
SANOFI US Patent					Assay Description It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...				US Patent US9714221 (2017) BindingDB Entry DOI: 10.7270/Q2N58PB1
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