BDBM50332561 CHEMBL1630517::N-(3-(5-(6-(cyclopentyloxy)naphthalen-1-yl)-1,3-dioxan-2-yl)propyl)acetamide

SMILES: CC(=O)NCCCC1OCC(CO1)c1cccc2cc(OC3CCCC3)ccc12

InChI Key: InChIKey=MDYGHNYHSCHWJW-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 = 50332561   

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))	BDBM50332561 (CHEMBL1630517 | N-(3-(5-(6-(cyclopentyloxy)naphtha...) Show SMILES CC(=O)NCCCC1OCC(CO1)c1cccc2cc(OC3CCCC3)ccc12 |(24.94,-24.48,;24.15,-23.15,;24.9,-21.81,;22.61,-23.18,;21.83,-21.85,;20.29,-21.88,;19.5,-20.55,;17.96,-20.57,;17.2,-21.92,;15.67,-21.94,;14.88,-20.62,;15.62,-19.27,;17.16,-19.25,;13.34,-20.65,;12.55,-19.33,;11,-19.36,;10.26,-20.71,;11.05,-22.02,;10.31,-23.37,;11.1,-24.69,;10.35,-26.03,;8.82,-26.06,;7.89,-24.83,;6.43,-25.33,;6.46,-26.87,;7.93,-27.32,;12.65,-24.66,;13.4,-23.32,;12.6,-22,)| Show InChI InChI=1S/C24H31NO4/c1-17(26)25-13-5-10-24-27-15-19(16-28-24)22-9-4-6-18-14-21(11-12-23(18)22)29-20-7-2-3-8-20/h4,6,9,11-12,14,19-20,24H,2-3,5,7-8,10,13,15-16H2,1H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
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))	BDBM50332561 (CHEMBL1630517 | N-(3-(5-(6-(cyclopentyloxy)naphtha...) Show SMILES CC(=O)NCCCC1OCC(CO1)c1cccc2cc(OC3CCCC3)ccc12 |(24.94,-24.48,;24.15,-23.15,;24.9,-21.81,;22.61,-23.18,;21.83,-21.85,;20.29,-21.88,;19.5,-20.55,;17.96,-20.57,;17.2,-21.92,;15.67,-21.94,;14.88,-20.62,;15.62,-19.27,;17.16,-19.25,;13.34,-20.65,;12.55,-19.33,;11,-19.36,;10.26,-20.71,;11.05,-22.02,;10.31,-23.37,;11.1,-24.69,;10.35,-26.03,;8.82,-26.06,;7.89,-24.83,;6.43,-25.33,;6.46,-26.87,;7.93,-27.32,;12.65,-24.66,;13.4,-23.32,;12.6,-22,)| Show InChI InChI=1S/C24H31NO4/c1-17(26)25-13-5-10-24-27-15-19(16-28-24)22-9-4-6-18-14-21(11-12-23(18)22)29-20-7-2-3-8-20/h4,6,9,11-12,14,19-20,24H,2-3,5,7-8,10,13,15-16H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	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))	BDBM50332561 (CHEMBL1630517 | N-(3-(5-(6-(cyclopentyloxy)naphtha...) Show SMILES CC(=O)NCCCC1OCC(CO1)c1cccc2cc(OC3CCCC3)ccc12 |(24.94,-24.48,;24.15,-23.15,;24.9,-21.81,;22.61,-23.18,;21.83,-21.85,;20.29,-21.88,;19.5,-20.55,;17.96,-20.57,;17.2,-21.92,;15.67,-21.94,;14.88,-20.62,;15.62,-19.27,;17.16,-19.25,;13.34,-20.65,;12.55,-19.33,;11,-19.36,;10.26,-20.71,;11.05,-22.02,;10.31,-23.37,;11.1,-24.69,;10.35,-26.03,;8.82,-26.06,;7.89,-24.83,;6.43,-25.33,;6.46,-26.87,;7.93,-27.32,;12.65,-24.66,;13.4,-23.32,;12.6,-22,)| Show InChI InChI=1S/C24H31NO4/c1-17(26)25-13-5-10-24-27-15-19(16-28-24)22-9-4-6-18-14-21(11-12-23(18)22)29-20-7-2-3-8-20/h4,6,9,11-12,14,19-20,24H,2-3,5,7-8,10,13,15-16H2,1H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
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