BDBM50301848 CHEMBL584886::N-((2,3-dihydrobenzofuran-6-yl)methyl)-2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)acetamide

SMILES: CC1(CC(=O)NCc2ccc3CCOc3c2)CC2(CCCCC2)OO1

InChI Key: InChIKey=ZFHIOYANRKWHPJ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50301848   

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 1A (Homo sapiens (Human))	BDBM50301848 (CHEMBL584886 | N-((2,3-dihydrobenzofuran-6-yl)meth...) Show SMILES CC1(CC(=O)NCc2ccc3CCOc3c2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C20H27NO4/c1-19(14-20(25-24-19)8-3-2-4-9-20)12-18(22)21-13-15-5-6-16-7-10-23-17(16)11-15/h5-6,11H,2-4,7-10,12-14H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50301848 (CHEMBL584886 | N-((2,3-dihydrobenzofuran-6-yl)meth...) Show SMILES CC1(CC(=O)NCc2ccc3CCOc3c2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C20H27NO4/c1-19(14-20(25-24-19)8-3-2-4-9-20)12-18(22)21-13-15-5-6-16-7-10-23-17(16)11-15/h5-6,11H,2-4,7-10,12-14H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50301848 (CHEMBL584886 | N-((2,3-dihydrobenzofuran-6-yl)meth...) Show SMILES CC1(CC(=O)NCc2ccc3CCOc3c2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C20H27NO4/c1-19(14-20(25-24-19)8-3-2-4-9-20)12-18(22)21-13-15-5-6-16-7-10-23-17(16)11-15/h5-6,11H,2-4,7-10,12-14H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50301848 (CHEMBL584886 | N-((2,3-dihydrobenzofuran-6-yl)meth...) Show SMILES CC1(CC(=O)NCc2ccc3CCOc3c2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C20H27NO4/c1-19(14-20(25-24-19)8-3-2-4-9-20)12-18(22)21-13-15-5-6-16-7-10-23-17(16)11-15/h5-6,11H,2-4,7-10,12-14H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301848 (CHEMBL584886 | N-((2,3-dihydrobenzofuran-6-yl)meth...) Show SMILES CC1(CC(=O)NCc2ccc3CCOc3c2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C20H27NO4/c1-19(14-20(25-24-19)8-3-2-4-9-20)12-18(22)21-13-15-5-6-16-7-10-23-17(16)11-15/h5-6,11H,2-4,7-10,12-14H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair