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 = 'BDBM50466710'   

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))	BDBM50466710 (CHEMBL4290064) Show SMILES CCCCCc1n[nH]c2OC(N)=C(C#N)C(c12)c1cc(OC)c(O)c(c1)[N+]([O-])=O |t:11| Show InChI InChI=1S/C19H21N5O5/c1-3-4-5-6-12-16-15(11(9-20)18(21)29-19(16)23-22-12)10-7-13(24(26)27)17(25)14(8-10)28-2/h7-8,15,25H,3-6,21H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	531	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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