Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member B1' and Ligand = 'BDBM50478795'   

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 B1 (Rattus norvegicus)	BDBM50478795 (CHEMBL476908) Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(CCc4ccccc4)Cc3c2c1 Show InChI InChI=1S/C21H22N2O2/c24-21(25)13-16-6-7-19-17(12-16)18-14-23(11-9-20(18)22-19)10-8-15-4-2-1-3-5-15/h1-7,12,22H,8-11,13-14H2,(H,24,25)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase 2 using NADPH as substrate				Bioorg Med Chem 16: 4908-20 (2008) Article DOI: 10.1016/j.bmc.2008.03.039 BindingDB Entry DOI: 10.7270/Q2HQ42PT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50478795 (CHEMBL476908) Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(CCc4ccccc4)Cc3c2c1 Show InChI InChI=1S/C21H22N2O2/c24-21(25)13-16-6-7-19-17(12-16)18-14-23(11-9-20(18)22-19)10-8-15-4-2-1-3-5-15/h1-7,12,22H,8-11,13-14H2,(H,24,25)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase 2 using D,L-glyceraldehyde as substrate				Bioorg Med Chem 16: 4908-20 (2008) Article DOI: 10.1016/j.bmc.2008.03.039 BindingDB Entry DOI: 10.7270/Q2HQ42PT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50478795 (CHEMBL476908) Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(CCc4ccccc4)Cc3c2c1 Show InChI InChI=1S/C21H22N2O2/c24-21(25)13-16-6-7-19-17(12-16)18-14-23(11-9-20(18)22-19)10-8-15-4-2-1-3-5-15/h1-7,12,22H,8-11,13-14H2,(H,24,25)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase 2				Bioorg Med Chem 16: 4908-20 (2008) Article DOI: 10.1016/j.bmc.2008.03.039 BindingDB Entry DOI: 10.7270/Q2HQ42PT
					More data for this Ligand-Target Pair