BDBM50332560 CHEMBL1630515::N-(3-(5-(3-(2-cyclopentylethoxy)benzyl)-1,3-dioxan-2-yl)propyl)acetamide

SMILES: CC(=O)NCCCC1OCC(Cc2cccc(OCCC3CCCC3)c2)CO1

InChI Key: InChIKey=PBMOZCAXRBUURK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50332560   

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
Acetyl-CoA carboxylase 1 (ACC1) (Rattus norvegicus (Rat))	BDBM50332560 (CHEMBL1630515 | N-(3-(5-(3-(2-cyclopentylethoxy)be...) Show SMILES CC(=O)NCCCC1OCC(Cc2cccc(OCCC3CCCC3)c2)CO1 |(9.05,3.9,;7.72,3.13,;7.72,1.59,;6.38,3.9,;5.05,3.13,;3.72,3.9,;2.38,3.13,;1.05,3.9,;-.29,3.13,;-1.62,3.89,;-1.62,5.44,;-2.95,6.2,;-4.28,5.43,;-5.62,6.19,;-6.95,5.42,;-6.95,3.88,;-5.62,3.11,;-5.62,1.57,;-6.95,.8,;-6.95,-.74,;-8.19,-1.66,;-9.66,-1.2,;-10.55,-2.46,;-9.63,-3.7,;-8.17,-3.2,;-4.28,3.88,;-.29,6.21,;1.05,5.44,)| Show InChI InChI=1S/C23H35NO4/c1-18(25)24-12-5-10-23-27-16-21(17-28-23)14-20-8-4-9-22(15-20)26-13-11-19-6-2-3-7-19/h4,8-9,15,19,21,23H,2-3,5-7,10-14,16-17H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged rat recombinant ACC1 expressed in high five insect cells by ATP consumption assay				J Med Chem 53: 8679-87 (2010) Article DOI: 10.1021/jm101179e BindingDB Entry DOI: 10.7270/Q28K79BT
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50332560 (CHEMBL1630515 | N-(3-(5-(3-(2-cyclopentylethoxy)be...) Show SMILES CC(=O)NCCCC1OCC(Cc2cccc(OCCC3CCCC3)c2)CO1 |(9.05,3.9,;7.72,3.13,;7.72,1.59,;6.38,3.9,;5.05,3.13,;3.72,3.9,;2.38,3.13,;1.05,3.9,;-.29,3.13,;-1.62,3.89,;-1.62,5.44,;-2.95,6.2,;-4.28,5.43,;-5.62,6.19,;-6.95,5.42,;-6.95,3.88,;-5.62,3.11,;-5.62,1.57,;-6.95,.8,;-6.95,-.74,;-8.19,-1.66,;-9.66,-1.2,;-10.55,-2.46,;-9.63,-3.7,;-8.17,-3.2,;-4.28,3.88,;-.29,6.21,;1.05,5.44,)| Show InChI InChI=1S/C23H35NO4/c1-18(25)24-12-5-10-23-27-16-21(17-28-23)14-20-8-4-9-22(15-20)26-13-11-19-6-2-3-7-19/h4,8-9,15,19,21,23H,2-3,5-7,10-14,16-17H2,1H3,(H,24,25)	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	270	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay				J Med Chem 53: 8679-87 (2010) Article DOI: 10.1021/jm101179e BindingDB Entry DOI: 10.7270/Q28K79BT
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50332560 (CHEMBL1630515 | N-(3-(5-(3-(2-cyclopentylethoxy)be...) Show SMILES CC(=O)NCCCC1OCC(Cc2cccc(OCCC3CCCC3)c2)CO1 |(9.05,3.9,;7.72,3.13,;7.72,1.59,;6.38,3.9,;5.05,3.13,;3.72,3.9,;2.38,3.13,;1.05,3.9,;-.29,3.13,;-1.62,3.89,;-1.62,5.44,;-2.95,6.2,;-4.28,5.43,;-5.62,6.19,;-6.95,5.42,;-6.95,3.88,;-5.62,3.11,;-5.62,1.57,;-6.95,.8,;-6.95,-.74,;-8.19,-1.66,;-9.66,-1.2,;-10.55,-2.46,;-9.63,-3.7,;-8.17,-3.2,;-4.28,3.88,;-.29,6.21,;1.05,5.44,)| Show InChI InChI=1S/C23H35NO4/c1-18(25)24-12-5-10-23-27-16-21(17-28-23)14-20-8-4-9-22(15-20)26-13-11-19-6-2-3-7-19/h4,8-9,15,19,21,23H,2-3,5-7,10-14,16-17H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant ACC1 expressed in high five insect cells by ATP consumption assay				J Med Chem 53: 8679-87 (2010) Article DOI: 10.1021/jm101179e BindingDB Entry DOI: 10.7270/Q28K79BT
					More data for this Ligand-Target Pair