Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50048963   

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 (Homo sapiens (Human))	BDBM50231827 (CHEMBL4064731) Show SMILES CCCNC(=O)N1[C@H](CO)[C@H]([C@H]1C#N)c1ccc(cc1)-c1ccc(c(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F6N3O2/c1-2-9-31-21(34)32-18(11-30)20(19(32)12-33)14-5-3-13(4-6-14)15-7-8-16(22(24,25)26)17(10-15)23(27,28)29/h3-8,10,18-20,33H,2,9,12H2,1H3,(H,31,34)/t18-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Inhibition of recombinant human DHODH				ACS Med Chem Lett 8: 438-442 (2017) Article DOI: 10.1021/acsmedchemlett.7b00030 BindingDB Entry DOI: 10.7270/Q2668GDR
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50231826 (CHEMBL2362347) Show SMILES CCCNC(=O)N1[C@H](CO)[C@H]([C@H]1C#N)c1ccc(cc1)C#Cc1cccc(F)c1 Show InChI InChI=1S/C23H22FN3O2/c1-2-12-26-23(29)27-20(14-25)22(21(27)15-28)18-10-8-16(9-11-18)6-7-17-4-3-5-19(24)13-17/h3-5,8-11,13,20-22,28H,2,12,15H2,1H3,(H,26,29)/t20-,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Inhibition of recombinant human DHODH				ACS Med Chem Lett 8: 438-442 (2017) Article DOI: 10.1021/acsmedchemlett.7b00030 BindingDB Entry DOI: 10.7270/Q2668GDR
					More data for this Ligand-Target Pair