BDBM50090681 1N-butyl-2-[4-(1-ethynyl)phenylsulfonyl]urea::CHEMBL94334

SMILES: CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C#C

InChI Key: InChIKey=QKHCGTBZNDYWTO-UHFFFAOYSA-N

Data: 1 KI

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 = 50090681   

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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50090681 (1N-butyl-2-[4-(1-ethynyl)phenylsulfonyl]urea | CHE...) Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C#C Show InChI InChI=1S/C13H16N2O3S/c1-3-5-10-14-13(16)15-19(17,18)12-8-6-11(4-2)7-9-12/h2,6-9H,3,5,10H2,1H3,(H2,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme				J Med Chem 43: 2789-96 (2000) BindingDB Entry DOI: 10.7270/Q2K64H9Q
					More data for this Ligand-Target Pair