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 = 'BDBM264504'   

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))	BDBM264504 (N?[(S)-2,3-dihydroxypropyl]-17-(5-fluoropyridin-3-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(=O)NC[C@H](O)CO)[C@@H]1CC=C2c1cncc(F)c1 |r,c:27| Show InChI InChI=1S/C27H31FN2O3/c1-27-9-8-22-21-4-3-17(26(33)30-14-20(32)15-31)10-16(21)2-5-23(22)25(27)7-6-24(27)18-11-19(28)13-29-12-18/h3-4,6,10-13,20,22-23,25,31-32H,2,5,7-9,14-15H2,1H3,(H,30,33)/t20-,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	4	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