Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'chiarugi' and Initial = 'a'   

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 3-monooxygenase (Rattus norvegicus)	BDBM50083950 ((S)-(+)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric a...) Show SMILES N[C@@H](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)/t8-/m0/s1	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)	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 UniProtKB/SwissProt 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 (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 UniProtKB/SwissProt 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)	BDBM50083950 ((S)-(+)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric a...) Show SMILES N[C@@H](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)/t8-/m0/s1	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
Kynureninase (Rattus norvegicus)	BDBM50284766 ((R)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric acid ...) Show SMILES N[C@H](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)/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+5	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
Kynureninase (Rattus norvegicus)	BDBM50040567 (CHEMBL158499 | ortho-nitrobenzoyl)alanine) Show SMILES [NH3+]C(CC(=O)c1ccccc1[N+]([O-])=O)C([O-])=O Show InChI InChI=1S/C10H10N2O5/c11-7(10(14)15)5-9(13)6-3-1-2-4-8(6)12(16)17/h1-4,7H,5,11H2,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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
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 UniProtKB/SwissProt 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)	BDBM50040568 (CHEMBL157866 | para-nitrobenzoyl)alanine) Show SMILES [NH3+]C(CC(=O)c1ccc(cc1)[N+]([O-])=O)C([O-])=O Show InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-1-3-7(4-2-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Ability to inhibit 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
Kynureninase (Rattus norvegicus)	BDBM50040570 (CHEMBL160527 | NICOTINOYLALANINENAL | nicotinoylal...) Show SMILES [NH3+]C(CC(=O)c1cccnc1)C([O-])=O Show InChI InChI=1S/C9H10N2O3/c10-7(9(13)14)4-8(12)6-2-1-3-11-5-6/h1-3,5,7H,4,10H2,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.00E+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)	BDBM50040570 (CHEMBL160527 | NICOTINOYLALANINENAL | nicotinoylal...) Show SMILES [NH3+]C(CC(=O)c1cccnc1)C([O-])=O Show InChI InChI=1S/C9H10N2O3/c10-7(9(13)14)4-8(12)6-2-1-3-11-5-6/h1-3,5,7H,4,10H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Ability to inhibit 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
Kynureninase (Rattus norvegicus)	BDBM50040568 (CHEMBL157866 | para-nitrobenzoyl)alanine) Show SMILES [NH3+]C(CC(=O)c1ccc(cc1)[N+]([O-])=O)C([O-])=O Show InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-1-3-7(4-2-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9.00E+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)	BDBM50040567 (CHEMBL158499 | ortho-nitrobenzoyl)alanine) Show SMILES [NH3+]C(CC(=O)c1ccccc1[N+]([O-])=O)C([O-])=O Show InChI InChI=1S/C10H10N2O5/c11-7(10(14)15)5-9(13)6-3-1-2-4-8(6)12(16)17/h1-4,7H,5,11H2,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.00E+6	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