Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50042449 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50426340
(CHEMBL2321943)Show SMILES COc1cc2N(O)C(=O)[C@@H](N)Cc2cc1Oc1ccccc1 |r| Show InChI InChI=1S/C16H16N2O4/c1-21-14-9-13-10(7-12(17)16(19)18(13)20)8-15(14)22-11-5-3-2-4-6-11/h2-6,8-9,12,20H,7,17H2,1H3/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50426341
(CHEMBL2321944)Show InChI InChI=1S/C15H14N2O3/c16-13-9-10-8-12(20-11-4-2-1-3-5-11)6-7-14(10)17(19)15(13)18/h1-8,13,19H,9,16H2/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50386310
(CHEMBL2049092)Show InChI InChI=1S/C10H12N2O3/c1-15-7-3-2-6-4-8(11)10(13)12(14)9(6)5-7/h2-3,5,8,14H,4,11H2,1H3/t8-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50386292
(CHEMBL2047851)Show InChI InChI=1S/C9H10N2O2/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12/h1-4,7,13H,5,10H2/t7-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50386310
(CHEMBL2049092)Show InChI InChI=1S/C10H12N2O3/c1-15-7-3-2-6-4-8(11)10(13)12(14)9(6)5-7/h2-3,5,8,14H,4,11H2,1H3/t8-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human KAT2 using L-kynurenine as substrate measured after 15-20 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50386292
(CHEMBL2047851)Show InChI InChI=1S/C9H10N2O2/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12/h1-4,7,13H,5,10H2/t7-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human KAT2 using L-kynurenine as substrate measured after 15-20 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50426341
(CHEMBL2321944)Show InChI InChI=1S/C15H14N2O3/c16-13-9-10-8-12(20-11-4-2-1-3-5-11)6-7-14(10)17(19)15(13)18/h1-8,13,19H,9,16H2/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human KAT2 using L-kynurenine as substrate measured after 15-20 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50426340
(CHEMBL2321943)Show SMILES COc1cc2N(O)C(=O)[C@@H](N)Cc2cc1Oc1ccccc1 |r| Show InChI InChI=1S/C16H16N2O4/c1-21-14-9-13-10(7-12(17)16(19)18(13)20)8-15(14)22-11-5-3-2-4-6-11/h2-6,8-9,12,20H,7,17H2,1H3/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human KAT2 using L-kynurenine as substrate measured after 15-20 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kynurenine--oxoglutarate transaminase 3
(Homo sapiens (Human)) | BDBM50426341
(CHEMBL2321944)Show InChI InChI=1S/C15H14N2O3/c16-13-9-10-8-12(20-11-4-2-1-3-5-11)6-7-14(10)17(19)15(13)18/h1-8,13,19H,9,16H2/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human KAT3 using L-kynurenine as substrate measured after 24 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kynurenine--oxoglutarate transaminase 1
(Homo sapiens (Human)) | BDBM50426341
(CHEMBL2321944)Show InChI InChI=1S/C15H14N2O3/c16-13-9-10-8-12(20-11-4-2-1-3-5-11)6-7-14(10)17(19)15(13)18/h1-8,13,19H,9,16H2/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human KAT1 using L-kynurenine as substrate measured after 16 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kynurenine--oxoglutarate transaminase 3
(Homo sapiens (Human)) | BDBM50386310
(CHEMBL2049092)Show InChI InChI=1S/C10H12N2O3/c1-15-7-3-2-6-4-8(11)10(13)12(14)9(6)5-7/h2-3,5,8,14H,4,11H2,1H3/t8-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human KAT3 using L-kynurenine as substrate measured after 24 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kynurenine--oxoglutarate transaminase 3
(Homo sapiens (Human)) | BDBM50386292
(CHEMBL2047851)Show InChI InChI=1S/C9H10N2O2/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12/h1-4,7,13H,5,10H2/t7-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human KAT3 using L-kynurenine as substrate measured after 24 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kynurenine--oxoglutarate transaminase 3
(Homo sapiens (Human)) | BDBM50426340
(CHEMBL2321943)Show SMILES COc1cc2N(O)C(=O)[C@@H](N)Cc2cc1Oc1ccccc1 |r| Show InChI InChI=1S/C16H16N2O4/c1-21-14-9-13-10(7-12(17)16(19)18(13)20)8-15(14)22-11-5-3-2-4-6-11/h2-6,8-9,12,20H,7,17H2,1H3/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human KAT3 using L-kynurenine as substrate measured after 24 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kynurenine--oxoglutarate transaminase 1
(Homo sapiens (Human)) | BDBM50386310
(CHEMBL2049092)Show InChI InChI=1S/C10H12N2O3/c1-15-7-3-2-6-4-8(11)10(13)12(14)9(6)5-7/h2-3,5,8,14H,4,11H2,1H3/t8-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human KAT1 using L-kynurenine as substrate measured after 16 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kynurenine--oxoglutarate transaminase 1
(Homo sapiens (Human)) | BDBM50386292
(CHEMBL2047851)Show InChI InChI=1S/C9H10N2O2/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12/h1-4,7,13H,5,10H2/t7-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human KAT1 using L-kynurenine as substrate measured after 16 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kynurenine--oxoglutarate transaminase 1
(Homo sapiens (Human)) | BDBM50426340
(CHEMBL2321943)Show SMILES COc1cc2N(O)C(=O)[C@@H](N)Cc2cc1Oc1ccccc1 |r| Show InChI InChI=1S/C16H16N2O4/c1-21-14-9-13-10(7-12(17)16(19)18(13)20)8-15(14)22-11-5-3-2-4-6-11/h2-6,8-9,12,20H,7,17H2,1H3/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human KAT1 using L-kynurenine as substrate measured after 16 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |