BDBM50519877 CHEMBL4462469

SMILES: COCn1nc2c(nc1=O)n(CC(O)=O)c1ccccc21

InChI Key: InChIKey=VSHQRWIXSBCKRQ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50519877   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aldose reductase (Rattus norvegicus)	BDBM50519877 (CHEMBL4462469) Show SMILES COCn1nc2c(nc1=O)n(CC(O)=O)c1ccccc21 Show InChI InChI=1S/C13H12N4O4/c1-21-7-17-13(20)14-12-11(15-17)8-4-2-3-5-9(8)16(12)6-10(18)19/h2-5H,6-7H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	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
					More data for this Ligand-Target Pair
Aldose reductase (Rattus norvegicus)	BDBM50519877 (CHEMBL4462469) Show SMILES COCn1nc2c(nc1=O)n(CC(O)=O)c1ccccc21 Show InChI InChI=1S/C13H12N4O4/c1-21-7-17-13(20)14-12-11(15-17)8-4-2-3-5-9(8)16(12)6-10(18)19/h2-5H,6-7H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	118	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
					More data for this Ligand-Target Pair