Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member C3' and Ligand = 'BDBM50337286'   

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))	BDBM50337286 (3-[N-(4-tert-butylphenyl)amino]benzoic acid | CHEM...) Show SMILES CC(C)(C)c1ccc(Nc2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C17H19NO2/c1-17(2,3)13-7-9-14(10-8-13)18-15-6-4-5-12(11-15)16(19)20/h4-11,18H,1-3H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of the University of Pennsylvania US Patent					Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...				US Patent US9271961 (2016) BindingDB Entry DOI: 10.7270/Q27W6B22
					More data for this Ligand-Target Pair				3D Structure (docked)
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50337286 (3-[N-(4-tert-butylphenyl)amino]benzoic acid | CHEM...) Show SMILES CC(C)(C)c1ccc(Nc2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C17H19NO2/c1-17(2,3)13-7-9-14(10-8-13)18-15-6-4-5-12(11-15)16(19)20/h4-11,18H,1-3H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay				J Med Chem 55: 2311-23 (2012) Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP
					More data for this Ligand-Target Pair				3D Structure (docked)
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50337286 (3-[N-(4-tert-butylphenyl)amino]benzoic acid | CHEM...) Show SMILES CC(C)(C)c1ccc(Nc2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C17H19NO2/c1-17(2,3)13-7-9-14(10-8-13)18-15-6-4-5-12(11-15)16(19)20/h4-11,18H,1-3H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of AKR1C3 by fluorimetric method				Bioorg Med Chem Lett 21: 1464-8 (2011) Article DOI: 10.1016/j.bmcl.2011.01.010 BindingDB Entry DOI: 10.7270/Q24J0FD4
					More data for this Ligand-Target Pair				3D Structure (docked)