BDBM50054597 (Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(5-trifluoromethyl-pyridin-2-yl)-acrylamide::CHEMBL140558

SMILES: FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)nc1

InChI Key: InChIKey=TUGYWXLKAAQFFM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50054597   

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 (Mus musculus)	BDBM50054597 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(5-trifluoro...) Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)nc1 Show InChI InChI=1S/C13H10F3N3O2/c14-13(15,16)8-3-4-10(18-6-8)19-12(21)9(5-17)11(20)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH) (Rattus norvegicus (rat))	BDBM50054597 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(5-trifluoro...) Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)nc1 Show InChI InChI=1S/C13H10F3N3O2/c14-13(15,16)8-3-4-10(18-6-8)19-12(21)9(5-17)11(20)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
					More data for this Ligand-Target Pair