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
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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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 |