BDBM50359707 CHEMBL1929451

SMILES: CCC(=O)C(C#N)C(=O)Nc1ccc(-c2ccc3OCCOc3c2)c(c1)C(=O)OC

InChI Key: InChIKey=DIZSFIULSHFXIV-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 = 50359707   

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))	BDBM50359707 (CHEMBL1929451) Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2ccc3OCCOc3c2)c(c1)C(=O)OC Show InChI InChI=1S/C22H20N2O6/c1-3-18(25)17(12-23)21(26)24-14-5-6-15(16(11-14)22(27)28-2)13-4-7-19-20(10-13)30-9-8-29-19/h4-7,10-11,17H,3,8-9H2,1-2H3,(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	66	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