Compile Data Set for Download or QSAR

Found 10 hits of affinity data for UniProtKB/TrEMBL: Q16719   

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
Kynureninase (Homo sapiens (Human))	BDBM50069730 (2-Amino-3-(2-amino-benzenesulfonyl)-propionic acid...) Show SMILES NC(CS(=O)(=O)c1ccccc1N)C(O)=O Show InChI InChI=1S/C9H12N2O4S/c10-6-3-1-2-4-8(6)16(14,15)5-7(11)9(12)13/h1-4,7H,5,10-11H2,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Compound was tested for the binding affinity against bacterial kynureninase				Bioorg Med Chem Lett 8: 133-8 (1999) BindingDB Entry DOI: 10.7270/Q2639NXW
					More data for this Ligand-Target Pair
Kynureninase (Homo sapiens (Human))	BDBM50288256 ((R)-2-Amino-3-(2-amino-benzenesulfonyl)-propionic ...) Show SMILES N[C@H](CS(=O)(=O)c1ccccc1N)C(O)=O Show InChI InChI=1S/C9H12N2O4S/c10-6-3-1-2-4-8(6)16(14,15)5-7(11)9(12)13/h1-4,7H,5,10-11H2,(H,12,13)/t7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against kynureninase isolated from Pseudomonas fluorescence				Bioorg Med Chem Lett 6: 2643-2646 (1996) Article DOI: 10.1016/S0960-894X(96)00483-0 BindingDB Entry DOI: 10.7270/Q2HM5903
					More data for this Ligand-Target Pair
Kynureninase (Homo sapiens (Human))	BDBM50109155 (2-Amino-4-hydroxy-4-(3-hydroxy-phenyl)-butyric aci...) Show SMILES NC(CC(O)c1cccc(O)c1)C(O)=O Show InChI InChI=1S/C10H13NO4/c11-8(10(14)15)5-9(13)6-2-1-3-7(12)4-6/h1-4,8-9,12-13H,5,11H2,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Inhibition of human kynureninase				J Med Chem 52: 389-96 (2009) Article DOI: 10.1021/jm8010806 BindingDB Entry DOI: 10.7270/Q2DZ0860
					More data for this Ligand-Target Pair
Kynureninase (Homo sapiens (Human))	BDBM50109155 (2-Amino-4-hydroxy-4-(3-hydroxy-phenyl)-butyric aci...) Show SMILES NC(CC(O)c1cccc(O)c1)C(O)=O Show InChI InChI=1S/C10H13NO4/c11-8(10(14)15)5-9(13)6-2-1-3-7(12)4-6/h1-4,8-9,12-13H,5,11H2,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of St Andrews Curated by ChEMBL					Assay Description Tested for binding affinity of the compound against kynureninase enzyme from human				Bioorg Med Chem Lett 12: 361-3 (2002) BindingDB Entry DOI: 10.7270/Q2P26XFS
					More data for this Ligand-Target Pair
Kynureninase (Homo sapiens (Human))	BDBM50288255 (2-ammonio-4-(2-ammoniophenyl)-4-oxo-(2S)-butanoate) Show SMILES [NH3+][C@@H](CC(=O)c1ccccc1[NH3+])C([O-])=O Show InChI InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/p+1/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against kynureninase isolated from Pseudomonas fluorescence				Bioorg Med Chem Lett 6: 2643-2646 (1996) Article DOI: 10.1016/S0960-894X(96)00483-0 BindingDB Entry DOI: 10.7270/Q2HM5903
					More data for this Ligand-Target Pair
Kynureninase (Homo sapiens (Human))	BDBM50288257 ((R)-2-Benzyloxycarbonylamino-3-(methoxy-phenyl-pho...) Show SMILES COC(=O)[C@H](CP(=O)(OC)c1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C19H22NO6P/c1-24-18(21)17(14-27(23,25-2)16-11-7-4-8-12-16)20-19(22)26-13-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3,(H,20,22)/t17-,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against kynureninase isolated from Pseudomonas fluorescence				Bioorg Med Chem Lett 6: 2643-2646 (1996) Article DOI: 10.1016/S0960-894X(96)00483-0 BindingDB Entry DOI: 10.7270/Q2HM5903
					More data for this Ligand-Target Pair
Kynureninase (Homo sapiens (Human))	BDBM50109155 (2-Amino-4-hydroxy-4-(3-hydroxy-phenyl)-butyric aci...) Show SMILES NC(CC(O)c1cccc(O)c1)C(O)=O Show InChI InChI=1S/C10H13NO4/c11-8(10(14)15)5-9(13)6-2-1-3-7(12)4-6/h1-4,8-9,12-13H,5,11H2,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of St Andrews Curated by ChEMBL					Assay Description Tested for binding affinity of the compound against kynureninase enzyme from bacterial cells				Bioorg Med Chem Lett 12: 361-3 (2002) BindingDB Entry DOI: 10.7270/Q2P26XFS
					More data for this Ligand-Target Pair
Kynureninase (Homo sapiens (Human))	BDBM50288254 (2-ammonio-4-oxo-4-phenyl-(2S)-butanoate | CHEMBL31...) Show SMILES [NH3+][C@@H](CC(=O)c1ccccc1)C([O-])=O Show InChI InChI=1S/C10H11NO3/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,13,14)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem	Article	2.34E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against kynureninase isolated from Pseudomonas fluorescence				Bioorg Med Chem Lett 6: 2643-2646 (1996) Article DOI: 10.1016/S0960-894X(96)00483-0 BindingDB Entry DOI: 10.7270/Q2HM5903
					More data for this Ligand-Target Pair
Kynureninase (Homo sapiens (Human))	BDBM50265459 (3-Hydroxyhippuric acid | CHEMBL447627) Show SMILES OC(=O)CNC(=O)c1cccc(O)c1 Show InChI InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Inhibition of human kynureninase				J Med Chem 52: 389-96 (2009) Article DOI: 10.1021/jm8010806 BindingDB Entry DOI: 10.7270/Q2DZ0860
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kynureninase (Homo sapiens (Human))	BDBM50288258 ((R)-2-Benzyloxycarbonylamino-3-(methoxy-phenyl-pho...) Show SMILES COP(=O)(C[C@H](NC(=O)OCc1ccccc1)C(O)=O)c1ccccc1 Show InChI InChI=1S/C18H20NO6P/c1-24-26(23,15-10-6-3-7-11-15)13-16(17(20)21)19-18(22)25-12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,19,22)(H,20,21)/t16-,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against kynureninase isolated from Pseudomonas fluorescence				Bioorg Med Chem Lett 6: 2643-2646 (1996) Article DOI: 10.1016/S0960-894X(96)00483-0 BindingDB Entry DOI: 10.7270/Q2HM5903
					More data for this Ligand-Target Pair