Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member B1' and Ligand = 'BDBM50519874'   

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)	BDBM50519874 (CHEMBL4582264) Show SMILES OC(=O)Cn1c2ccccc2c2n[nH]c(=O)nc12 Show InChI InChI=1S/C11H8N4O3/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	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 methylglyoxal as substrate incubated for 1 min and measured up to 4 mins by spectrophotometric analysis				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)	BDBM50519874 (CHEMBL4582264) Show SMILES OC(=O)Cn1c2ccccc2c2n[nH]c(=O)nc12 Show InChI InChI=1S/C11H8N4O3/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	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)	BDBM50519874 (CHEMBL4582264) Show SMILES OC(=O)Cn1c2ccccc2c2n[nH]c(=O)nc12 Show InChI InChI=1S/C11H8N4O3/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	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
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50519874 (CHEMBL4582264) Show SMILES OC(=O)Cn1c2ccccc2c2n[nH]c(=O)nc12 Show InChI InChI=1S/C11H8N4O3/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Comenius University in Bratislava Curated by ChEMBL					Assay Description Inhibition of human AKR1B1 expressed in Escherichia coli using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using by...				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)	BDBM50519874 (CHEMBL4582264) Show SMILES OC(=O)Cn1c2ccccc2c2n[nH]c(=O)nc12 Show InChI InChI=1S/C11H8N4O3/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	216	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 4-hydroxynonenal as substrate incubated for 1 min and measured up to 4 mins by spectrophotometric analysis				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)	BDBM50519874 (CHEMBL4582264) Show SMILES OC(=O)Cn1c2ccccc2c2n[nH]c(=O)nc12 Show InChI InChI=1S/C11H8N4O3/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	292	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 4-hydroxynonenal glutathione as substrate incubated for 1 min and measured up to 4 mins by spectrophotometric analy...				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