BDBM50359688 CHEMBL1929432

SMILES: CCC(=O)C(C#N)C(=O)Nc1ccc(OS(=O)(=O)C(F)(F)F)cc1

InChI Key: InChIKey=BHAVJMAMUUEIMY-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50359688   

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))	BDBM50359688 (CHEMBL1929432) Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(OS(=O)(=O)C(F)(F)F)cc1 Show InChI InChI=1S/C13H11F3N2O5S/c1-2-11(19)10(7-17)12(20)18-8-3-5-9(6-4-8)23-24(21,22)13(14,15)16/h3-6,10H,2H2,1H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	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