Compile Data Set for Download or QSAR

Found 282 hits with Last Name = 'chan' and Initial = 'aw'   

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
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054585 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...) Show SMILES FC(F)(F)S(=O)(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 Show InChI InChI=1S/C14H11F3N2O4S/c15-14(16,17)24(22,23)10-5-3-9(4-6-10)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054573 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...) Show SMILES FC(F)(F)Sc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 Show InChI InChI=1S/C14H11F3N2O2S/c15-14(16,17)22-10-5-3-9(4-6-10)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054556 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...) Show SMILES FC(F)(F)Oc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 Show InChI InChI=1S/C14H11F3N2O3/c15-14(16,17)22-10-5-3-9(4-6-10)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054601 (5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...) Show SMILES Cc1oncc1C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054590 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...) Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1SC(F)(F)F Show InChI InChI=1S/C15H13F3N2O2S/c1-8-6-10(4-5-12(8)23-15(16,17)18)20-14(22)11(7-19)13(21)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054541 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...) Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C(F)(F)C(F)(F)F Show InChI InChI=1S/C16H13F5N2O2/c1-8-6-10(4-5-12(8)15(17,18)16(19,20)21)23-14(25)11(7-22)13(24)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054552 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-methylsul...) Show SMILES CSc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 Show InChI InChI=1S/C14H14N2O2S/c1-19-11-6-4-10(5-7-11)16-14(18)12(8-15)13(17)9-2-3-9/h4-7,9,12H,2-3H2,1H3,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,10H,1H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054560 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...) Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C(F)(F)F Show InChI InChI=1S/C15H13F3N2O2/c1-8-6-10(4-5-12(8)15(16,17)18)20-14(22)11(7-19)13(21)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054581 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...) Show SMILES FC(F)(F)S(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 Show InChI InChI=1S/C14H11F3N2O3S/c15-14(16,17)23(22)10-5-3-9(4-6-10)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054597 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(5-trifluoro...) Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)nc1 Show InChI InChI=1S/C13H10F3N3O2/c14-13(15,16)8-3-4-10(18-6-8)19-12(21)9(5-17)11(20)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054574 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...) Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1OC(F)(F)F Show InChI InChI=1S/C15H13F3N2O3/c1-8-6-10(4-5-12(8)23-15(16,17)18)20-14(22)11(7-19)13(21)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054557 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-nitro-phe...) Show SMILES [O-][N+](=O)c1ccc(NC(=O)C(=C=[N-])C(=[OH+])C2CC2)cc1 Show InChI InChI=1S/C13H10N3O4/c14-7-11(12(17)8-1-2-8)13(18)15-9-3-5-10(6-4-9)16(19)20/h3-6,8H,1-2H2,(H,15,18)/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM29024 (CHEMBL141732 | cyanocyclopropylpropenamide, 4) Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 Show InChI InChI=1S/C14H11F3N2O2/c15-14(16,17)9-3-5-10(6-4-9)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Mus musculus)	BDBM50407985 (CHEMBL2111978) Show SMILES Clc1ccc(\C=C/c2ccc(NC(=O)C(C#N)C(=O)C3CC3)cc2)cc1 Show InChI InChI=1S/C21H17ClN2O2/c22-17-9-3-14(4-10-17)1-2-15-5-11-18(12-6-15)24-21(26)19(13-23)20(25)16-7-8-16/h1-6,9-12,16,19H,7-8H2,(H,24,26)/b2-1-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054600 ((Z)-2-Cyano-3-hydroxy-penta-2,4-dienoic acid (4-tr...) Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C=C)cc1 Show InChI InChI=1S/C13H9F3N2O2/c1-2-11(19)10(7-17)12(20)18-9-5-3-8(4-6-9)13(14,15)16/h2-6,10H,1H2,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054553 ((Z)-2-Cyano-N-(4-cyano-3-methyl-phenyl)-3-cyclopro...) Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C#N Show InChI InChI=1S/C15H13N3O2/c1-9-6-12(5-4-11(9)7-16)18-15(20)13(8-17)14(19)10-2-3-10/h4-6,10,13H,2-3H2,1H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Mus musculus)	BDBM50054601 (5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...) Show SMILES Cc1oncc1C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054594 ((Z)-N-(4-Chloro-3-methyl-phenyl)-2-cyano-3-cyclopr...) Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1Cl Show InChI InChI=1S/C14H13ClN2O2/c1-8-6-10(4-5-12(8)15)17-14(19)11(7-16)13(18)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Mus musculus)	BDBM50054553 ((Z)-2-Cyano-N-(4-cyano-3-methyl-phenyl)-3-cyclopro...) Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C#N Show InChI InChI=1S/C15H13N3O2/c1-9-6-12(5-4-11(9)7-16)18-15(20)13(8-17)14(19)10-2-3-10/h4-6,10,13H,2-3H2,1H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Mus musculus)	BDBM50054584 ((Z)-N-(4-Chloro-phenyl)-2-cyano-3-cyclopropyl-3-hy...) Show SMILES Clc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 Show InChI InChI=1S/C13H11ClN2O2/c14-9-3-5-10(6-4-9)16-13(18)11(7-15)12(17)8-1-2-8/h3-6,8,11H,1-2H2,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Mus musculus)	BDBM50054548 ((Z)-N-(4-Bromo-phenyl)-2-cyano-3-cyclopropyl-3-hyd...) Show SMILES Brc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 Show InChI InChI=1S/C13H11BrN2O2/c14-9-3-5-10(6-4-9)16-13(18)11(7-15)12(17)8-1-2-8/h3-6,8,11H,1-2H2,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054549 ((Z)-N-(5-Bromo-pyridin-2-yl)-2-cyano-3-cyclopropyl...) Show SMILES Brc1ccc(NC(=O)C(C#N)C(=O)C2CC2)nc1 Show InChI InChI=1S/C12H10BrN3O2/c13-8-3-4-10(15-6-8)16-12(18)9(5-14)11(17)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50407985 (CHEMBL2111978) Show SMILES Clc1ccc(\C=C/c2ccc(NC(=O)C(C#N)C(=O)C3CC3)cc2)cc1 Show InChI InChI=1S/C21H17ClN2O2/c22-17-9-3-14(4-10-17)1-2-15-5-11-18(12-6-15)24-21(26)19(13-23)20(25)16-7-8-16/h1-6,9-12,16,19H,7-8H2,(H,24,26)/b2-1-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Mus musculus)	BDBM50054594 ((Z)-N-(4-Chloro-3-methyl-phenyl)-2-cyano-3-cyclopr...) Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1Cl Show InChI InChI=1S/C14H13ClN2O2/c1-8-6-10(4-5-12(8)15)17-14(19)11(7-16)13(18)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054564 ((Z)-2-Cyano-3-cyclopropyl-N-(3-ethyl-4-trifluorome...) Show SMILES CCc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C(F)(F)F Show InChI InChI=1S/C16H15F3N2O2/c1-2-9-7-11(5-6-13(9)16(17,18)19)21-15(23)12(8-20)14(22)10-3-4-10/h5-7,10,12H,2-4H2,1H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Mus musculus)	BDBM50054587 ((Z)-2-Cyano-N-(4-cyano-phenyl)-3-cyclopropyl-3-hyd...) Show SMILES O=C(Nc1ccc(cc1)C#N)C(C#N)C(=O)C1CC1 Show InChI InChI=1S/C14H11N3O2/c15-7-9-1-5-11(6-2-9)17-14(19)12(8-16)13(18)10-3-4-10/h1-2,5-6,10,12H,3-4H2,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Mus musculus)	BDBM29024 (CHEMBL141732 | cyanocyclopropylpropenamide, 4) Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 Show InChI InChI=1S/C14H11F3N2O2/c15-14(16,17)9-3-5-10(6-4-9)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Mus musculus)	BDBM50054557 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-nitro-phe...) Show SMILES [O-][N+](=O)c1ccc(NC(=O)C(=C=[N-])C(=[OH+])C2CC2)cc1 Show InChI InChI=1S/C13H10N3O4/c14-7-11(12(17)8-1-2-8)13(18)15-9-3-5-10(6-4-9)16(19)20/h3-6,8H,1-2H2,(H,15,18)/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054578 ((Z)-N-(4-Bromo-3-methyl-phenyl)-2-cyano-3-cyclopro...) Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1Br Show InChI InChI=1S/C14H13BrN2O2/c1-8-6-10(4-5-12(8)15)17-14(19)11(7-16)13(18)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM181050 (3A5) Show SMILES Cc1nc2ccc3sc(NC(=O)c4ccc5ncsc5c4)nc3c2s1 Show InChI InChI=1S/C17H10N4OS3/c1-8-19-11-4-5-12-14(15(11)24-8)20-17(25-12)21-16(22)9-2-3-10-13(6-9)23-7-18-10/h2-7H,1H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
University College London					Assay Description For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...				Biochemistry 55: 608-17 (2016) Article DOI: 10.1021/acs.biochem.5b01128 BindingDB Entry DOI: 10.7270/Q2N58K5J
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054587 ((Z)-2-Cyano-N-(4-cyano-phenyl)-3-cyclopropyl-3-hyd...) Show SMILES O=C(Nc1ccc(cc1)C#N)C(C#N)C(=O)C1CC1 Show InChI InChI=1S/C14H11N3O2/c15-7-9-1-5-11(6-2-9)17-14(19)12(8-16)13(18)10-3-4-10/h1-2,5-6,10,12H,3-4H2,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Mus musculus)	BDBM50054560 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...) Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C(F)(F)F Show InChI InChI=1S/C15H13F3N2O2/c1-8-6-10(4-5-12(8)15(16,17)18)20-14(22)11(7-19)13(21)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Mus musculus)	BDBM50054565 ((2Z,4E)-2-Cyano-3-hydroxy-hexa-2,4-dienoic acid (4...) Show SMILES CC=CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F |w:1.0| Show InChI InChI=1S/C14H11F3N2O2/c1-2-3-12(20)11(8-18)13(21)19-10-6-4-9(5-7-10)14(15,16)17/h2-7,11H,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Mus musculus)	BDBM50054578 ((Z)-N-(4-Bromo-3-methyl-phenyl)-2-cyano-3-cyclopro...) Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1Br Show InChI InChI=1S/C14H13BrN2O2/c1-8-6-10(4-5-12(8)15)17-14(19)11(7-16)13(18)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054584 ((Z)-N-(4-Chloro-phenyl)-2-cyano-3-cyclopropyl-3-hy...) Show SMILES Clc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 Show InChI InChI=1S/C13H11ClN2O2/c14-9-3-5-10(6-4-9)16-13(18)11(7-15)12(17)8-1-2-8/h3-6,8,11H,1-2H2,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054606 ((Z)-N-(4-Acetyl-phenyl)-2-cyano-3-cyclopropyl-3-hy...) Show SMILES CC(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 Show InChI InChI=1S/C15H14N2O3/c1-9(18)10-4-6-12(7-5-10)17-15(20)13(8-16)14(19)11-2-3-11/h4-7,11,13H,2-3H2,1H3,(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM181050 (3A5) Show SMILES Cc1nc2ccc3sc(NC(=O)c4ccc5ncsc5c4)nc3c2s1 Show InChI InChI=1S/C17H10N4OS3/c1-8-19-11-4-5-12-14(15(11)24-8)20-17(25-12)21-16(22)9-2-3-10-13(6-9)23-7-18-10/h2-7H,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
University College London					Assay Description For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...				Biochemistry 55: 608-17 (2016) Article DOI: 10.1021/acs.biochem.5b01128 BindingDB Entry DOI: 10.7270/Q2N58K5J
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Mus musculus)	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,10H,1H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (Mus musculus)	BDBM50054564 ((Z)-2-Cyano-3-cyclopropyl-N-(3-ethyl-4-trifluorome...) Show SMILES CCc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C(F)(F)F Show InChI InChI=1S/C16H15F3N2O2/c1-2-9-7-11(5-6-13(9)16(17,18)19)21-15(23)12(8-20)14(22)10-3-4-10/h5-7,10,12H,2-4H2,1H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054555 ((Z)-N-(5-Chloro-pyridin-2-yl)-2-cyano-3-cyclopropy...) Show SMILES Clc1ccc(NC(=O)C(C#N)C(=O)C2CC2)nc1 Show InChI InChI=1S/C12H10ClN3O2/c13-8-3-4-10(15-6-8)16-12(18)9(5-14)11(17)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054591 ((Z)-N-(3-Chloro-4-methyl-phenyl)-2-cyano-3-cyclopr...) Show SMILES Cc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1Cl Show InChI InChI=1S/C14H13ClN2O2/c1-8-2-5-10(6-12(8)15)17-14(19)11(7-16)13(18)9-3-4-9/h2,5-6,9,11H,3-4H2,1H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054548 ((Z)-N-(4-Bromo-phenyl)-2-cyano-3-cyclopropyl-3-hyd...) Show SMILES Brc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 Show InChI InChI=1S/C13H11BrN2O2/c14-9-3-5-10(6-4-9)16-13(18)11(7-15)12(17)8-1-2-8/h3-6,8,11H,1-2H2,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Mus musculus)	BDBM50054585 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...) Show SMILES FC(F)(F)S(=O)(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 Show InChI InChI=1S/C14H11F3N2O4S/c15-14(16,17)24(22,23)10-5-3-9(4-6-10)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Mus musculus)	BDBM50054573 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...) Show SMILES FC(F)(F)Sc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 Show InChI InChI=1S/C14H11F3N2O2S/c15-14(16,17)22-10-5-3-9(4-6-10)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541233 (CHEMBL4638227) Show SMILES Cl.CC(=O)Nc1ccc2CN(Cc2c1)C(=O)[C@H](N)Cc1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C19H19Cl2N3O2.ClH/c1-11(25)23-16-5-3-13-9-24(10-14(13)6-16)19(26)18(22)7-12-2-4-15(20)8-17(12)21;/h2-6,8,18H,7,9-10,22H2,1H3,(H,23,25);1H/t18-;/m1./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054565 ((2Z,4E)-2-Cyano-3-hydroxy-hexa-2,4-dienoic acid (4...) Show SMILES CC=CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F |w:1.0| Show InChI InChI=1S/C14H11F3N2O2/c1-2-3-12(20)11(8-18)13(21)19-10-6-4-9(5-7-10)14(15,16)17/h2-7,11H,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM181052 (5F4) Show SMILES CSc1nc2ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N4CCOCC4)sc3c2s1 Show InChI InChI=1S/C20H18N4O4S4/c1-29-20-22-15-7-6-14-16(17(15)31-20)30-19(21-14)23-18(25)12-2-4-13(5-3-12)32(26,27)24-8-10-28-11-9-24/h2-7H,8-11H2,1H3,(H,21,23,25)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
University College London					Assay Description For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...				Biochemistry 55: 608-17 (2016) Article DOI: 10.1021/acs.biochem.5b01128 BindingDB Entry DOI: 10.7270/Q2N58K5J
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541238 (CHEMBL4641181) Show SMILES Cl.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1Cc2ccc(N)cc2C1 |r| Show InChI InChI=1S/C17H17Cl2N3O.ClH/c18-13-3-1-10(15(19)7-13)6-16(21)17(23)22-8-11-2-4-14(20)5-12(11)9-22;/h1-5,7,16H,6,8-9,20-21H2;1H/t16-;/m1./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50054589 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-phenethyl...) Show SMILES O=C(Nc1ccc(CCc2ccccc2)cc1)C(C#N)C(=O)C1CC1 Show InChI InChI=1S/C21H20N2O2/c22-14-19(20(24)17-10-11-17)21(25)23-18-12-8-16(9-13-18)7-6-15-4-2-1-3-5-15/h1-5,8-9,12-13,17,19H,6-7,10-11H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 282 total )  |  Next  |  Last  >>

Jump to: