BDBM50066567 7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid pentylamide::CHEMBL119418

SMILES: CCCCCNC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C

InChI Key: InChIKey=NXZSDPWQJGOVBP-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 = 50066567   

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))	BDBM50066567 (7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5...) Show SMILES CCCCCNC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C20H31NO2/c1-7-8-9-10-21-18(22)14-11-15(19(2,3)4)17-16(12-14)20(5,6)13-23-17/h11-12H,7-10,13H2,1-6H3,(H,21,22)	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	250	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50066567 (7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5...) Show SMILES CCCCCNC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C20H31NO2/c1-7-8-9-10-21-18(22)14-11-15(19(2,3)4)17-16(12-14)20(5,6)13-23-17/h11-12H,7-10,13H2,1-6H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
					More data for this Ligand-Target Pair