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 = 'BDBM264515'   

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))	BDBM264515 (17-(5-fluoropyridin-3-yl)-N?[(S)-2-hydroxypropyl]o...) Show SMILES C[C@H](O)CNC(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1 |r,c:18| Show InChI InChI=1S/C27H31FN2O2/c1-16(31)13-30-26(32)18-4-5-21-17(11-18)3-6-23-22(21)9-10-27(2)24(7-8-25(23)27)19-12-20(28)15-29-14-19/h4-5,7,11-12,14-16,22-23,25,31H,3,6,8-10,13H2,1-2H3,(H,30,32)/t16-,22+,23+,25-,27+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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
					More data for this Ligand-Target Pair