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 = 'BDBM264486'   

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))	BDBM264486 (3-cyanooestra-1,3,5(10),16-tetraen-17-yl trifluoro...) Show SMILES [H][C@@]12CC=C(OS(=O)(=O)C(F)(F)F)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])C#N |r,t:3| Show InChI InChI=1S/C20H20F3NO3S/c1-19-9-8-15-14-4-2-12(11-24)10-13(14)3-5-16(15)17(19)6-7-18(19)27-28(25,26)20(21,22)23/h2,4,7,10,15-17H,3,5-6,8-9H2,1H3/t15-,16-,17+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	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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