Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dihydroorotate dehydrogenase (quinone), mitochondrial' and Ligand = 'BDBM50365224'   

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 (Plasmodium falciparum (isolate 3D7))	BDBM50365224 (CHEMBL1956291 | US9238653, Table 5, Compound 29) Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(F)(F)F Show InChI InChI=1S/C13H9F8N5S/c1-7-6-10(26-12(22-7)24-11(25-26)13(14,15)16)23-8-2-4-9(5-3-8)27(17,18,19,20)21/h2-6,23H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50365224 (CHEMBL1956291 | US9238653, Table 5, Compound 29) Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(F)(F)F Show InChI InChI=1S/C13H9F8N5S/c1-7-6-10(26-12(22-7)24-11(25-26)13(14,15)16)23-8-2-4-9(5-3-8)27(17,18,19,20)21/h2-6,23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay				J Med Chem 54: 5540-61 (2011) Article DOI: 10.1021/jm200592f BindingDB Entry DOI: 10.7270/Q21N81M0
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50365224 (CHEMBL1956291 | US9238653, Table 5, Compound 29) Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(F)(F)F Show InChI InChI=1S/C13H9F8N5S/c1-7-6-10(26-12(22-7)24-11(25-26)13(14,15)16)23-8-2-4-9(5-3-8)27(17,18,19,20)21/h2-6,23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair