Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 1' and Ligand = 'BDBM50332557'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50332557 (CHEMBL1630520 | N-(3-(5-(3-(cyclobutylmethoxy)benz...) Show SMILES CC(=O)NCCCC1OCC(Cc2cccc(OCC3CCC3)c2)CO1 |(58.42,-1,;57.09,-1.77,;57.09,-3.31,;55.76,-1,;54.42,-1.77,;53.09,-1,;51.76,-1.77,;50.42,-1,;49.09,-1.77,;47.76,-1.01,;47.76,.54,;46.42,1.3,;45.09,.53,;43.75,1.29,;42.43,.52,;42.42,-1.02,;43.76,-1.79,;43.76,-3.33,;42.42,-4.1,;42.42,-5.64,;41.34,-6.73,;42.43,-7.82,;43.52,-6.73,;45.09,-1.02,;49.08,1.31,;50.42,.54,)| Show InChI InChI=1S/C21H31NO4/c1-16(23)22-10-4-9-21-25-14-19(15-26-21)11-18-7-3-8-20(12-18)24-13-17-5-2-6-17/h3,7-8,12,17,19,21H,2,4-6,9-11,13-15H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+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
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50332557 (CHEMBL1630520 | N-(3-(5-(3-(cyclobutylmethoxy)benz...) Show SMILES CC(=O)NCCCC1OCC(Cc2cccc(OCC3CCC3)c2)CO1 |(58.42,-1,;57.09,-1.77,;57.09,-3.31,;55.76,-1,;54.42,-1.77,;53.09,-1,;51.76,-1.77,;50.42,-1,;49.09,-1.77,;47.76,-1.01,;47.76,.54,;46.42,1.3,;45.09,.53,;43.75,1.29,;42.43,.52,;42.42,-1.02,;43.76,-1.79,;43.76,-3.33,;42.42,-4.1,;42.42,-5.64,;41.34,-6.73,;42.43,-7.82,;43.52,-6.73,;45.09,-1.02,;49.08,1.31,;50.42,.54,)| Show InChI InChI=1S/C21H31NO4/c1-16(23)22-10-4-9-21-25-14-19(15-26-21)11-18-7-3-8-20(12-18)24-13-17-5-2-6-17/h3,7-8,12,17,19,21H,2,4-6,9-11,13-15H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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