BDBM50040567 CHEMBL158499::ortho-nitrobenzoyl)alanine

SMILES: [NH3+]C(CC(=O)c1ccccc1[N+]([O-])=O)C([O-])=O

InChI Key: InChIKey=FTPUCYSVARXNNS-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 = 50040567   

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
Kynurenine 3-monooxygenase (Rattus norvegicus)	BDBM50040567 (CHEMBL158499 | ortho-nitrobenzoyl)alanine) Show SMILES [NH3+]C(CC(=O)c1ccccc1[N+]([O-])=O)C([O-])=O Show InChI InChI=1S/C10H10N2O5/c11-7(10(14)15)5-9(13)6-3-1-2-4-8(6)12(16)17/h1-4,7H,5,11H2,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Ability to inhibit kynurenine-3-hydroxylase was determined in a competitive inhibition assay.				J Med Chem 37: 647-55 (1994) BindingDB Entry DOI: 10.7270/Q2VD703H
					More data for this Ligand-Target Pair
Kynureninase (Rattus norvegicus)	BDBM50040567 (CHEMBL158499 | ortho-nitrobenzoyl)alanine) Show SMILES [NH3+]C(CC(=O)c1ccccc1[N+]([O-])=O)C([O-])=O Show InChI InChI=1S/C10H10N2O5/c11-7(10(14)15)5-9(13)6-3-1-2-4-8(6)12(16)17/h1-4,7H,5,11H2,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Ability to inhibit kynureninase was determined in a competitive inhibition assay.				J Med Chem 37: 647-55 (1994) BindingDB Entry DOI: 10.7270/Q2VD703H
					More data for this Ligand-Target Pair