Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member C3' and Ligand = 'BDBM264500'   

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
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM264500 (1-{[17-(5-fluoropyridin-3-yl)oestra-1,3,5(10),16-t...) Show SMILES [H][C@@]12CC=C(c3cncc(F)c3)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)N1CCC[C@H]1C(=O)NC |r,t:3| Show InChI InChI=1S/C30H34FN3O2/c1-30-12-11-23-22-7-6-19(29(36)34-13-3-4-27(34)28(35)32-2)14-18(22)5-8-24(23)26(30)10-9-25(30)20-15-21(31)17-33-16-20/h6-7,9,14-17,23-24,26-27H,3-5,8,10-13H2,1-2H3,(H,32,35)/t23-,24-,26+,27+,30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtitre plat...				US Patent US9714266 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6V7W
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