Compile Data Set for Download or QSAR

Found 852 hits with Last Name = 'courtney' and Initial = 'sm'   

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 (Homo sapiens (Human))	BDBM50072078 (CHEMBL3407905) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C11H6F2N2O2/c12-7-2-1-6(3-8(7)13)9-4-10(11(16)17)15-5-14-9/h1-5H,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072123 (CHEMBL3407904) Show SMILES OC(=O)c1cc(ncn1)-c1cccc(Cl)c1F Show InChI InChI=1S/C11H6ClFN2O2/c12-7-3-1-2-6(10(7)13)8-4-9(11(16)17)15-5-14-8/h1-5H,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072120 (CHEMBL3407901) Show SMILES OC(=O)c1cc(ncn1)-c1cccc(F)c1 Show InChI InChI=1S/C11H7FN2O2/c12-8-3-1-2-7(4-8)9-5-10(11(15)16)14-6-13-9/h1-6H,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072122 (CHEMBL3407903) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C11H6ClFN2O2/c12-7-2-1-6(3-8(7)13)9-4-10(11(16)17)15-5-14-9/h1-5H,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072081 (CHEMBL3407922) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(OC2CC2)c(Cl)c1 Show InChI InChI=1S/C14H11ClN2O3/c15-10-5-8(1-4-13(10)20-9-2-3-9)11-6-12(14(18)19)17-7-16-11/h1,4-7,9H,2-3H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072082 (CHEMBL3407865) Show SMILES OC(=O)c1cc(ncn1)-c1cccc(Cl)c1 Show InChI InChI=1S/C11H7ClN2O2/c12-8-3-1-2-7(4-8)9-5-10(11(15)16)14-6-13-9/h1-6H,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072077 (CHEMBL3407866) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C11H6Cl2N2O2/c12-7-2-1-6(3-8(7)13)9-4-10(11(16)17)15-5-14-9/h1-5H,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072079 (CHEMBL3407913) Show SMILES Cc1ccc(cc1Cl)-c1cc(ncn1)C(O)=O Show InChI InChI=1S/C12H9ClN2O2/c1-7-2-3-8(4-9(7)13)10-5-11(12(16)17)15-6-14-10/h2-6H,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072131 (CHEMBL3407914) Show SMILES Cc1ccc(cc1F)-c1cc(ncn1)C(O)=O Show InChI InChI=1S/C12H9FN2O2/c1-7-2-3-8(4-9(7)13)10-5-11(12(16)17)15-6-14-10/h2-6H,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072121 (CHEMBL3407902) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C11H6ClFN2O2/c12-7-3-6(1-2-8(7)13)9-4-10(11(16)17)15-5-14-9/h1-5H,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072136 (CHEMBL3407920) Show SMILES COc1ccc(cc1Cl)-c1cc(ncn1)C(O)=O Show InChI InChI=1S/C12H9ClN2O3/c1-18-11-3-2-7(4-8(11)13)9-5-10(12(16)17)15-6-14-9/h2-6H,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072143 (CHEMBL3407924) Show SMILES OC(=O)c1cc(ncn1)-c1ccc2occc2c1 Show InChI InChI=1S/C13H8N2O3/c16-13(17)11-6-10(14-7-15-11)8-1-2-12-9(5-8)3-4-18-12/h1-7H,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Mus musculus)	BDBM50072078 (CHEMBL3407905) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C11H6F2N2O2/c12-7-2-1-6(3-8(7)13)9-4-10(11(16)17)15-5-14-9/h1-5H,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	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 assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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)	BDBM50072078 (CHEMBL3407905) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C11H6F2N2O2/c12-7-2-1-6(3-8(7)13)9-4-10(11(16)17)15-5-14-9/h1-5H,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of rat KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072175 (CHEMBL3407926) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(OC2COC2)c(Cl)c1 Show InChI InChI=1S/C14H11ClN2O4/c15-10-3-8(1-2-13(10)21-9-5-20-6-9)11-4-12(14(18)19)17-7-16-11/h1-4,7,9H,5-6H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072101 (CHEMBL3407883) Show SMILES Clc1ccc(cc1Cl)-c1cc(ncn1)-c1nn[nH]n1 Show InChI InChI=1S/C11H6Cl2N6/c12-7-2-1-6(3-8(7)13)9-4-10(15-5-14-9)11-16-18-19-17-11/h1-5H,(H,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072080 (CHEMBL3407919) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(OC(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C12H6ClF3N2O3/c13-7-3-6(1-2-10(7)21-12(14,15)16)8-4-9(11(19)20)18-5-17-8/h1-5H,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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
Caspase-3 (Homo sapiens (Human))	BDBM50420474 (CHEMBL2086889 | US9073941, 607) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(OC)cc1 Show InChI InChI=1S/C15H15N5O3/c1-4-20-13-11(14(21)19(2)15(22)17-13)16-12(18-20)9-5-7-10(23-3)8-6-9/h5-8H,4H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of caspase3				J Med Chem 55: 1021-46 (2012) Article DOI: 10.1021/jm201310y BindingDB Entry DOI: 10.7270/Q2CN7560
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50072092 (CHEMBL3407874) Show SMILES OC(=O)c1cc(ccn1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C12H7Cl2NO2/c13-9-2-1-7(5-10(9)14)8-3-4-15-11(6-8)12(16)17/h1-6H,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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)	BDBM50072077 (CHEMBL3407866) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C11H6Cl2N2O2/c12-7-2-1-6(3-8(7)13)9-4-10(11(16)17)15-5-14-9/h1-5H,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of rat KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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)	BDBM50072081 (CHEMBL3407922) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(OC2CC2)c(Cl)c1 Show InChI InChI=1S/C14H11ClN2O3/c15-10-5-8(1-4-13(10)20-9-2-3-9)11-6-12(14(18)19)17-7-16-11/h1,4-7,9H,2-3H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of rat KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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)	BDBM50072079 (CHEMBL3407913) Show SMILES Cc1ccc(cc1Cl)-c1cc(ncn1)C(O)=O Show InChI InChI=1S/C12H9ClN2O2/c1-7-2-3-8(4-9(7)13)10-5-11(12(16)17)15-6-14-10/h2-6H,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of rat KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072126 (CHEMBL3407908) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(c(Cl)c1)C(F)(F)F Show InChI InChI=1S/C12H6ClF3N2O2/c13-8-3-6(1-2-7(8)12(14,15)16)9-4-10(11(19)20)18-5-17-9/h1-5H,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Mus musculus)	BDBM50072081 (CHEMBL3407922) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(OC2CC2)c(Cl)c1 Show InChI InChI=1S/C14H11ClN2O3/c15-10-5-8(1-4-13(10)20-9-2-3-9)11-6-12(14(18)19)17-7-16-11/h1,4-7,9H,2-3H2,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	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 assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072141 (CHEMBL3407921) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1cc(ncn1)C(O)=O Show InChI InChI=1S/C14H13ClN2O3/c1-8(2)20-13-4-3-9(5-10(13)15)11-6-12(14(18)19)17-7-16-11/h3-8H,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Mus musculus)	BDBM50072077 (CHEMBL3407866) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C11H6Cl2N2O2/c12-7-2-1-6(3-8(7)13)9-4-10(11(16)17)15-5-14-9/h1-5H,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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 assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072095 (CHEMBL3407877) Show SMILES OC(=O)c1ncnc(c1F)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C11H5Cl2FN2O2/c12-6-2-1-5(3-7(6)13)9-8(14)10(11(17)18)16-4-15-9/h1-4H,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Mus musculus)	BDBM50072079 (CHEMBL3407913) Show SMILES Cc1ccc(cc1Cl)-c1cc(ncn1)C(O)=O Show InChI InChI=1S/C12H9ClN2O2/c1-7-2-3-8(4-9(7)13)10-5-11(12(16)17)15-6-14-10/h2-6H,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	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 assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072081 (CHEMBL3407922) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(OC2CC2)c(Cl)c1 Show InChI InChI=1S/C14H11ClN2O3/c15-10-5-8(1-4-13(10)20-9-2-3-9)11-6-12(14(18)19)17-7-16-11/h1,4-7,9H,2-3H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO transfected in CHO cells assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50420459 (CHEMBL2086528) Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:31:22:29:25.26.27,20:22:29:25.26.27,THB:31:26:23.22.30:29,27:26:23:30.28.29,27:28:23:25.31.26| Show InChI InChI=1S/C24H31N3O4S/c1-2-22(28)25-20-3-5-21(6-4-20)32(30,31)27-9-7-26(8-10-27)23(29)24-14-17-11-18(15-24)13-19(12-17)16-24/h2-6,17-19H,1,7-16H2,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant TG2 by fluorescent transamidation assay				J Med Chem 55: 1021-46 (2012) Article DOI: 10.1021/jm201310y BindingDB Entry DOI: 10.7270/Q2CN7560
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50072098 (CHEMBL3407880) Show SMILES Cc1c(ncnc1-c1ccc(Cl)c(Cl)c1)C(O)=O Show InChI InChI=1S/C12H8Cl2N2O2/c1-6-10(15-5-16-11(6)12(17)18)7-2-3-8(13)9(14)4-7/h2-5H,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Mus musculus)	BDBM50072080 (CHEMBL3407919) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(OC(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C12H6ClF3N2O3/c13-7-3-6(1-2-10(7)21-12(14,15)16)8-4-9(11(19)20)18-5-17-8/h1-5H,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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 assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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
Protein-glutamine gamma-glutamyltransferase E (Homo sapiens (Human))	BDBM50420474 (CHEMBL2086889 | US9073941, 607) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(OC)cc1 Show InChI InChI=1S/C15H15N5O3/c1-4-20-13-11(14(21)19(2)15(22)17-13)16-12(18-20)9-5-7-10(23-3)8-6-9/h5-8H,4H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of thrombin activated human TG3 by fluorescent transamidation assay				J Med Chem 55: 1021-46 (2012) Article DOI: 10.1021/jm201310y BindingDB Entry DOI: 10.7270/Q2CN7560
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50072118 (CHEMBL3407899) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C11H7ClN2O2/c12-8-3-1-7(2-4-8)9-5-10(11(15)16)14-6-13-9/h1-6H,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072080 (CHEMBL3407919) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(OC(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C12H6ClF3N2O3/c13-7-3-6(1-2-10(7)21-12(14,15)16)8-4-9(11(19)20)18-5-17-8/h1-5H,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO transfected in CHO cells assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072167 (CHEMBL3407925) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(OC2CCC2)c(Cl)c1 Show InChI InChI=1S/C15H13ClN2O3/c16-11-6-9(4-5-14(11)21-10-2-1-3-10)12-7-13(15(19)20)18-8-17-12/h4-8,10H,1-3H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072094 (CHEMBL3407876) Show SMILES Cc1nc(cc(n1)-c1ccc(Cl)c(Cl)c1)C(O)=O Show InChI InChI=1S/C12H8Cl2N2O2/c1-6-15-10(5-11(16-6)12(17)18)7-2-3-8(13)9(14)4-7/h2-5H,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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 (Homo sapiens (Human))	BDBM50072102 (CHEMBL3407884) Show SMILES Clc1ccc(cc1Cl)-c1cc(ncn1)-c1noc(=O)[nH]1 Show InChI InChI=1S/C12H6Cl2N4O2/c13-7-2-1-6(3-8(7)14)9-4-10(16-5-15-9)11-17-12(19)20-18-11/h1-5H,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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
Caspase-3 (Homo sapiens (Human))	BDBM50355111 (CHEMBL1835210) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C25H39N5O10/c1-11(2)19(26-13(5)31)23(37)27-14(9-17(32)33)21(35)29-20(12(3)4)24(38)30-8-6-7-16(30)22(36)28-15-10-18(34)40-25(15)39/h11-12,14-16,19-20,25,39H,6-10H2,1-5H3,(H,26,31)(H,27,37)(H,28,36)(H,29,35)(H,32,33)/t14-,15-,16-,19-,20-,25?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal histidine-tagged caspase-3 using Ac-DEVD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50072122 (CHEMBL3407903) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C11H6ClFN2O2/c12-7-2-1-6(3-8(7)13)9-4-10(11(16)17)15-5-14-9/h1-5H,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO transfected in CHO cells assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50400621 (CHEMBL2203451) Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C27H35N5O3/c1-3-25(33)28-15-8-7-13-23(30-26(34)20-22-11-5-4-6-12-22)27(35)32-18-16-31(17-19-32)24-14-9-10-21(2)29-24/h3-6,9-12,14,23H,1,7-8,13,15-20H2,2H3,(H,28,33)(H,30,34)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Irreversible inhibition of transglutaminase 2				ACS Med Chem Lett 3: 1024-1028 (2012) Article DOI: 10.1021/ml300241m BindingDB Entry DOI: 10.7270/Q2TB1823
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50420454 (CHEMBL2086544) Show SMILES C=CC(=O)Nc1ncc(cn1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:31:22:29:25.26.27,THB:31:26:23.22.30:29,27:26:23:30.28.29,27:28:23:25.31.26| Show InChI InChI=1S/C22H29N5O4S/c1-2-19(28)25-21-23-13-18(14-24-21)32(30,31)27-5-3-26(4-6-27)20(29)22-10-15-7-16(11-22)9-17(8-15)12-22/h2,13-17H,1,3-12H2,(H,23,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant TG2 by fluorescent transamidation assay				J Med Chem 55: 1021-46 (2012) Article DOI: 10.1021/jm201310y BindingDB Entry DOI: 10.7270/Q2CN7560
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50335329 (2-(4-Fluorobenzyl)-4-(5-methyl-1H-pyrazol-3-ylamin...) Show SMILES Cc1cc(Nc2nn(Cc3ccc(F)cc3)c(=O)c3ccccc23)[nH]n1 Show InChI InChI=1S/C19H16FN5O/c1-12-10-17(23-22-12)21-18-15-4-2-3-5-16(15)19(26)25(24-18)11-13-6-8-14(20)9-7-13/h2-10H,11H2,1H3,(H2,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of Aurora A by ELISA				J Med Chem 54: 312-9 (2011) Article DOI: 10.1021/jm101346r BindingDB Entry DOI: 10.7270/Q29P32MB
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50355109 (CHEMBL1835209) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C23H37N5O10/c1-9(2)17(25-12(6)29)22(36)26-13(7-15(30)31)20(34)28-18(10(3)4)21(35)24-11(5)19(33)27-14-8-16(32)38-23(14)37/h9-11,13-14,17-18,23,37H,7-8H2,1-6H3,(H,24,35)(H,25,29)(H,26,36)(H,27,33)(H,28,34)(H,30,31)/t11-,13-,14-,17-,18-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal histidine-tagged caspase-3 using Ac-DEVD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50420451 (CHEMBL2086541) Show SMILES C=CC(=O)Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:31:22:29:25.26.27,THB:31:26:23.22.30:29,27:26:23:30.28.29,27:28:23:25.31.26| Show InChI InChI=1S/C23H30N4O4S/c1-2-21(28)25-20-4-3-19(15-24-20)32(30,31)27-7-5-26(6-8-27)22(29)23-12-16-9-17(13-23)11-18(10-16)14-23/h2-4,15-18H,1,5-14H2,(H,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant TG2 by fluorescent transamidation assay				J Med Chem 55: 1021-46 (2012) Article DOI: 10.1021/jm201310y BindingDB Entry DOI: 10.7270/Q2CN7560
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50072136 (CHEMBL3407920) Show SMILES COc1ccc(cc1Cl)-c1cc(ncn1)C(O)=O Show InChI InChI=1S/C12H9ClN2O3/c1-18-11-3-2-7(4-8(11)13)9-5-10(12(16)17)15-6-14-9/h2-6H,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO transfected in CHO cells assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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
Protein-glutamine gamma-glutamyltransferase 2 (Mus musculus)	BDBM50420459 (CHEMBL2086528) Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:31:22:29:25.26.27,20:22:29:25.26.27,THB:31:26:23.22.30:29,27:26:23:30.28.29,27:28:23:25.31.26| Show InChI InChI=1S/C24H31N3O4S/c1-2-22(28)25-20-3-5-21(6-4-20)32(30,31)27-9-7-26(8-10-27)23(29)24-14-17-11-18(15-24)13-19(12-17)16-24/h2-6,17-19H,1,7-16H2,(H,25,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of mouse recombinant TG2 by fluorescent transamidation assay				J Med Chem 55: 1021-46 (2012) Article DOI: 10.1021/jm201310y BindingDB Entry DOI: 10.7270/Q2CN7560
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50335315 (2-(Methyl-3-pyridine)-4-(5-methyl-1H-pyrazol-3-yla...) Show SMILES Cc1cc(Nc2nn(Cc3cccnc3)c(=O)c3ccccc23)[nH]n1 Show InChI InChI=1S/C18H16N6O/c1-12-9-16(22-21-12)20-17-14-6-2-3-7-15(14)18(25)24(23-17)11-13-5-4-8-19-10-13/h2-10H,11H2,1H3,(H2,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of Aurora A by ELISA				J Med Chem 54: 312-9 (2011) Article DOI: 10.1021/jm101346r BindingDB Entry DOI: 10.7270/Q29P32MB
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50072129 (CHEMBL3407911) Show SMILES Cc1cccc(c1)-c1cc(ncn1)C(O)=O Show InChI InChI=1S/C12H10N2O2/c1-8-3-2-4-9(5-8)10-6-11(12(15)16)14-7-13-10/h2-7H,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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)	BDBM50072080 (CHEMBL3407919) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(OC(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C12H6ClF3N2O3/c13-7-3-6(1-2-10(7)21-12(14,15)16)8-4-9(11(19)20)18-5-17-8/h1-5H,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of rat KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				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

Displayed 1 to 50 (of 852 total )  |  Next  |  Last  >>

Jump to: