BDBM50024092 6-Iodomethylene-4-phenyl-tetrahydro-pyran-2-one::CHEMBL307448

SMILES: I\C=C1/CC(CC(=O)O1)c1ccccc1

InChI Key: InChIKey=HRGNBHXGMAPIMI-DHZHZOJOSA-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 = 50024092   

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
Beta-chymotrypsin (Homo sapiens (Human))	BDBM50024092 (6-Iodomethylene-4-phenyl-tetrahydro-pyran-2-one | ...) Show SMILES I\C=C1/CC(CC(=O)O1)c1ccccc1 Show InChI InChI=1S/C12H11IO2/c13-8-11-6-10(7-12(14)15-11)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2/b11-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding constant of the compound alpha-chymotrypsin was determined by competitive inhibition assay with BTEE as substrate				J Med Chem 29: 230-8 (1986) BindingDB Entry DOI: 10.7270/Q2NC6068
					More data for this Ligand-Target Pair