Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member C1' and Ligand = 'BDBM50466730'   

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 C1 (Homo sapiens (Human))	BDBM50466730 (CHEMBL4291554) Show SMILES COc1cc(cc(c1O)[N+]([O-])=O)C1c2c(CCC3CCCC3)n[nH]c2OC(N)=C1C#N |c:30| Show InChI InChI=1S/C21H23N5O5/c1-30-16-9-12(8-15(19(16)27)26(28)29)17-13(10-22)20(23)31-21-18(17)14(24-25-21)7-6-11-4-2-3-5-11/h8-9,11,17,27H,2-7,23H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	433	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1C1 expressed in Escherichia coli BL21 cells in presence of 9,10-phenanthrenequinone and NADPH by fluorescence ass...				Bioorg Med Chem 26: 5934-5943 (2018) Article DOI: 10.1016/j.bmc.2018.10.044 BindingDB Entry DOI: 10.7270/Q2NV9MZJ
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