BDBM50359706 CHEMBL1929450

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

InChI Key: InChIKey=LIQTXJDDQIGBRY-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 = 50359706   

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))	BDBM50359706 (CHEMBL1929450) Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2cccc(OC)c2)c(c1)C(=O)OC Show InChI InChI=1S/C21H20N2O5/c1-4-19(24)18(12-22)20(25)23-14-8-9-16(17(11-14)21(26)28-3)13-6-5-7-15(10-13)27-2/h5-11,18H,4H2,1-3H3,(H,23,25)	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	26	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