BDBM50519876 CHEMBL4541343

SMILES: OC(=O)Cn1c2ccccc2c2nn(Cc3ccccc3)c(=O)nc12

InChI Key: InChIKey=VWEMLKWYTPWLQC-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 = 50519876   

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)	BDBM50519876 (CHEMBL4541343) Show SMILES OC(=O)Cn1c2ccccc2c2nn(Cc3ccccc3)c(=O)nc12 Show InChI InChI=1S/C18H14N4O3/c23-15(24)11-21-14-9-5-4-8-13(14)16-17(21)19-18(25)22(20-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	434	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)	BDBM50519876 (CHEMBL4541343) Show SMILES OC(=O)Cn1c2ccccc2c2nn(Cc3ccccc3)c(=O)nc12 Show InChI InChI=1S/C18H14N4O3/c23-15(24)11-21-14-9-5-4-8-13(14)16-17(21)19-18(25)22(20-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	787	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