BDBM50090680 1N-benzyl-2-[4-(1-ethynyl)phenylsulfonyl]urea::CHEMBL317083

SMILES: O=C(NCc1ccccc1)NS(=O)(=O)c1ccc(cc1)C#C

InChI Key: InChIKey=IHVDVZPOENSTCW-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 = 50090680   

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))	BDBM50090680 (1N-benzyl-2-[4-(1-ethynyl)phenylsulfonyl]urea | CH...) Show SMILES O=C(NCc1ccccc1)NS(=O)(=O)c1ccc(cc1)C#C Show InChI InChI=1S/C16H14N2O3S/c1-2-13-8-10-15(11-9-13)22(20,21)18-16(19)17-12-14-6-4-3-5-7-14/h1,3-11H,12H2,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+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