BDBM50108560 2-Acetylamino-4-(2-amino-5-methoxy-phenyl)-4-oxo-butyric acid::CHEMBL330466::Kynurenin

SMILES: COc1ccc(N)c(c1)C(=O)CC(NC(C)=O)C(O)=O

InChI Key: InChIKey=MJMNDHBFYSMDIG-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50108560   

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
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50108560 (2-Acetylamino-4-(2-amino-5-methoxy-phenyl)-4-oxo-b...) Show SMILES COc1ccc(N)c(c1)C(=O)CC(NC(C)=O)C(O)=O Show InChI InChI=1S/C13H16N2O5/c1-7(16)15-11(13(18)19)6-12(17)9-5-8(20-2)3-4-10(9)14/h3-5,11H,6,14H2,1-2H3,(H,15,16)(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description 50% inhibitory concentration against Neuronal nitric oxide synthase (nNOS) activity				J Med Chem 45: 263-74 (2002) BindingDB Entry DOI: 10.7270/Q2474966
					More data for this Ligand-Target Pair