BDBM50359695 CHEMBL1929439

SMILES: CCC(=O)C(C#N)C(=O)Nc1ccc(-c2cccc(OC(F)(F)F)c2)c(c1)C(=O)OC

InChI Key: InChIKey=FQHWDEKAZOKRKF-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50359695   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50359695 (CHEMBL1929439) Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2cccc(OC(F)(F)F)c2)c(c1)C(=O)OC Show InChI InChI=1S/C21H17F3N2O5/c1-3-18(27)17(11-25)19(28)26-13-7-8-15(16(10-13)20(29)30-2)12-5-4-6-14(9-12)31-21(22,23)24/h4-10,17H,3H2,1-2H3,(H,26,28)	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	27	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human dihydroorotate dehydrogenase				Bioorg Med Chem Lett 21: 7268-72 (2011) Article DOI: 10.1016/j.bmcl.2011.10.052 BindingDB Entry DOI: 10.7270/Q2N87B6R
					More data for this Ligand-Target Pair