BDBM50063788 1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-yl)-2-cyclopropylmethylsulfanyl-ethanone::CHEMBL417254

SMILES: CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CSCC1CC1

InChI Key: InChIKey=ROVIGEJGXWWFCU-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 = 50063788   

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
Cyclooxygenase (Homo sapiens (Human))	BDBM50063788 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CSCC1CC1 Show InChI InChI=1S/C20H28O2S/c1-19(2,3)15-8-14(17(21)11-23-10-13-6-7-13)9-16-18(15)22-12-20(16,4)5/h8-9,13H,6-7,10-12H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50063788 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CSCC1CC1 Show InChI InChI=1S/C20H28O2S/c1-19(2,3)15-8-14(17(21)11-23-10-13-6-7-13)9-16-18(15)22-12-20(16,4)5/h8-9,13H,6-7,10-12H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair