Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM445034'   

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 (Homo sapiens (Human))	BDBM445034 (US10668167, Compound 42) Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)cc1 |r,c:14,t:10| Show InChI InChI=1S/C35H38FNO6/c1-32-13-12-25(39)16-23(32)10-11-26-27-17-30-35(29(41)19-38,33(27,2)18-28(40)34(26,32)36)43-31(42-30)22-8-6-20(7-9-22)14-21-4-3-5-24(37)15-21/h3-9,12-13,15-16,26-28,30-31,38,40H,10-11,14,17-19,37H2,1-2H3/t26-,27-,28-,30+,31+,32-,33-,34-,35+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description Small molecules were tested for estrogen receptor (ER) alpha binding using a modification of the LanthaScreen® TR-FRET Estrogen Receptor Alpha Coacti...				US Patent US10668167 (2020) BindingDB Entry DOI: 10.7270/Q2B56NSW
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