BDBM50061907 (+/-)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric acid[(+/-)-m-nicotinylbenzoylalanine]::2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric acid::CHEMBL23983::meta-nitrobenzoyl)alanine

SMILES: NC(CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O

InChI Key: InChIKey=KBJZPNMDKSNLIZ-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50061907   

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)	BDBM50061907 ((+/-)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric aci...) Show SMILES NC(CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-2-1-3-7(4-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)	PDB Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	774	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of rat kidney Kynurenine 3-hydroxylase.				J Med Chem 40: 4378-85 (1998) Article DOI: 10.1021/jm970467t BindingDB Entry DOI: 10.7270/Q24B30DT
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Rattus norvegicus)	BDBM50061907 ((+/-)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric aci...) Show SMILES NC(CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-2-1-3-7(4-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)	PDB Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of Kynurenine-3-hydroxylase enzyme isolated from the rat liver				J Med Chem 43: 123-7 (2000) BindingDB Entry DOI: 10.7270/Q2RX9B9B
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Mus musculus)	BDBM50061907 ((+/-)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric aci...) Show SMILES NC(CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-2-1-3-7(4-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of mouse KMO				J Med Chem 58: 1159-83 (2015) Article DOI: 10.1021/jm501350y BindingDB Entry DOI: 10.7270/Q2445P5N
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Rattus norvegicus)	BDBM50061907 ((+/-)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric aci...) Show SMILES NC(CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-2-1-3-7(4-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)	PDB Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of rat liver KMO using [3,5-3H]-kynurenine substrate				J Med Chem 61: 745-759 (2018) BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Rattus norvegicus)	BDBM50061907 ((+/-)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric aci...) Show SMILES NC(CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-2-1-3-7(4-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)	PDB Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibitory activity against Kynurenine 3-hydroxylase				Bioorg Med Chem Lett 5: 1451-1454 (1995) Article DOI: 10.1016/0960-894X(95)00255-R BindingDB Entry DOI: 10.7270/Q2PR7VZZ
					More data for this Ligand-Target Pair
Kynureninase (Rattus norvegicus)	BDBM50061907 ((+/-)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric aci...) Show SMILES NC(CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-2-1-3-7(4-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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
Kynurenine 3-monooxygenase (Rattus norvegicus)	BDBM50061907 ((+/-)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric aci...) Show SMILES NC(CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-2-1-3-7(4-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)	PDB Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	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
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50061907 ((+/-)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric aci...) Show SMILES NC(CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-2-1-3-7(4-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)	PDB Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of human KMO				J Med Chem 58: 8762-82 (2015) BindingDB Entry DOI: 10.7270/Q2C82C3F
					More data for this Ligand-Target Pair