BDBM50063790 1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-yl)-2-(cyclopropylmethyl-methyl-amino)-ethanone::CHEMBL14266

SMILES: CN(CC1CC1)CC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C

InChI Key: InChIKey=ALTIXRRWNZGIQY-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 = 50063790   

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))	BDBM50063790 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CN(CC1CC1)CC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C21H31NO2/c1-20(2,3)16-9-15(10-17-19(16)24-13-21(17,4)5)18(23)12-22(6)11-14-7-8-14/h9-10,14H,7-8,11-13H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	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))	BDBM50063790 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CN(CC1CC1)CC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C21H31NO2/c1-20(2,3)16-9-15(10-17-19(16)24-13-21(17,4)5)18(23)12-22(6)11-14-7-8-14/h9-10,14H,7-8,11-13H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	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