Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydroorotate dehydrogenase (quinone), mitochondrial' and Ligand = 'BDBM50054589'   

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))	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
Dihydroorotate dehydrogenase (quinone), mitochondrial (Mus musculus)	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	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