Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM412241'   

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))	BDBM412241 ((5S,6S)-5-(2-fluoro-4- (2-(3- (fluoromethyl)azetid...) Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CF)C2)cc1F |r| Show InChI InChI=1S/C28H29F2NO2/c29-16-19-17-31(18-19)12-13-33-23-8-11-26(27(30)15-23)28-24(20-4-2-1-3-5-20)9-6-21-14-22(32)7-10-25(21)28/h1-5,7-8,10-11,14-15,19,24,28,32H,6,9,12-13,16-18H2/t24-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	n/a	n/a	0.0360	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...				US Patent US10399939 (2019) BindingDB Entry DOI: 10.7270/Q2G73H4H
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