Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 1' and Ligand = 'BDBM50302344'   

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))	BDBM50302344 (CHEMBL565627 | N-(1-(4'-(4-(2-methoxyethyl)phenoxy...) Show SMILES COCCc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1 Show InChI InChI=1S/C25H27NO3/c1-18(26-19(2)27)21-6-8-22(9-7-21)23-10-14-25(15-11-23)29-24-12-4-20(5-13-24)16-17-28-3/h4-15,18H,16-17H2,1-3H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged ACC1 expressed in baculovirus infected Sf9 insect cells using acetyl-CoA as substrate preincub...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116056 BindingDB Entry DOI: 10.7270/Q29C7231
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50302344 (CHEMBL565627 | N-(1-(4'-(4-(2-methoxyethyl)phenoxy...) Show SMILES COCCc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1 Show InChI InChI=1S/C25H27NO3/c1-18(26-19(2)27)21-6-8-22(9-7-21)23-10-14-25(15-11-23)29-24-12-4-20(5-13-24)16-17-28-3/h4-15,18H,16-17H2,1-3H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay				Bioorg Med Chem Lett 19: 5872-6 (2009) Article DOI: 10.1016/j.bmcl.2009.08.077 BindingDB Entry DOI: 10.7270/Q24J0F6F
					More data for this Ligand-Target Pair