BDBM50083950 (S)-(+)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric acid[(S)-(+)-m-nicotinylbenzoylalanine]::(S)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric acid::CHEMBL22740
SMILES: N[C@@H](CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O
InChI Key: InChIKey=KBJZPNMDKSNLIZ-QMMMGPOBSA-N
Data: 5 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) | BDBM50083950 ((S)-(+)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.00E+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 (Rattus norvegicus) | BDBM50083950 ((S)-(+)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 500 | 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 | |||||||||||||
Kynurenine 3-monooxygenase (Rattus norvegicus) | BDBM50083950 ((S)-(+)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of KMO in rat brain homogenates using kynurenine as substrate measured after 5 to 30 mins | Bioorg Med Chem Lett 27: 2023-2028 (2017) Article DOI: 10.1016/j.bmcl.2017.02.078 BindingDB Entry DOI: 10.7270/Q23R0W54 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kynurenine 3-monooxygenase (Rattus norvegicus) | BDBM50083950 ((S)-(+)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt 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 |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of KMO in rat brain homogenates using kynurenine as substrate measured after 5 to 30 mins | Bioorg Med Chem Lett 27: 2023-2028 (2017) Article DOI: 10.1016/j.bmcl.2017.02.078 BindingDB Entry DOI: 10.7270/Q23R0W54 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kynureninase (Rattus norvegicus) | BDBM50083950 ((S)-(+)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric a...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Tested for inhibitory activity against kynureninase from rat liver | 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 |