Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member B1' and Ligand = 'BDBM50519875'   

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)	BDBM50519875 (CHEMBL4566195) Show SMILES OC(=O)Cn1c2ccccc2c2nn(CC(O)=O)c(=O)nc12 Show InChI InChI=1S/C13H10N4O5/c18-9(19)5-16-8-4-2-1-3-7(8)11-12(16)14-13(22)17(15-11)6-10(20)21/h1-4H,5-6H2,(H,18,19)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Comenius University in Bratislava Curated by ChEMBL					Assay Description Inhibition of rat lens ALR2 using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using H2O-dissolved compound by spect...				J Med Chem 63: 369-381 (2020) Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50519875 (CHEMBL4566195) Show SMILES OC(=O)Cn1c2ccccc2c2nn(CC(O)=O)c(=O)nc12 Show InChI InChI=1S/C13H10N4O5/c18-9(19)5-16-8-4-2-1-3-7(8)11-12(16)14-13(22)17(15-11)6-10(20)21/h1-4H,5-6H2,(H,18,19)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	233	n/a	n/a	n/a	n/a	n/a	n/a
Comenius University in Bratislava Curated by ChEMBL					Assay Description Inhibition of rat lens ALR2 using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using 1% DMSO-dissolved compound by s...				J Med Chem 63: 369-381 (2020) Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7
					More data for this Ligand-Target Pair