BDBM50359699 CHEMBL1929443

SMILES: CCC(=O)C(C#N)C(=O)Nc1ccc(c(c1)C(=O)OC)-c1ccc(F)cc1C

InChI Key: InChIKey=FJZXQBNBWBUOCJ-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 = 50359699   

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))	BDBM50359699 (CHEMBL1929443) Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(c(c1)C(=O)OC)-c1ccc(F)cc1C Show InChI InChI=1S/C21H19FN2O4/c1-4-19(25)18(11-23)20(26)24-14-6-8-16(17(10-14)21(27)28-3)15-7-5-13(22)9-12(15)2/h5-10,18H,4H2,1-3H3,(H,24,26)	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	49	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