ChEMBL ligand: CHEMBL2419596
Acetyl-CoA carboxylase 1 in Human [ChEMBL: CHEMBL3351] [GtoPdb: 1263] [UniProtKB: Q13085] There should be some charts here, you may need to enable JavaScript!
Acetyl-CoA carboxylase 2 in Human [ChEMBL: CHEMBL4829] [GtoPdb: 1264] [UniProtKB: O00763] There should be some charts here, you may need to enable JavaScript!

DB	Assay description	Assay Type	Standard value	Standard parameter	Original value	Original units	Original parameter	Reference
Acetyl-CoA carboxylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3351] [GtoPdb: 1263] [UniProtKB: Q13085]
ChEMBL	Inhibition Assay: Preparation of rhACC1. Two liters of SF9 cells, infected with recombinant baculovirus containing full length human ACC1 cDNA, were suspended in ice-cold lysis buffer (25 mM Tris, pH 7.5; 150 mM NaCl; 10% glycerol; 5 mM imidazole (EMD Bioscience; Gibbstown, N.J.); 2 mM TCEP (BioVectra; Charlottetown, Canada); Benzonase nuclease (10000 U/100 g cell paste; Novagen; Madison, Wis.); EDTA-free protease inhibitor cocktail (1 tab/50 mL; Roche Diagnostics; Mannheim, Germany). Cells were lysed by 3 cycles of freeze-thaw and centrifuged at 40,000xg for 40 minutes (4 C.). Supernatant was directly loaded onto a HisTrap FF crude column (GE Healthcare; Piscataway, N.J.) and eluted with an imidazole gradient up to 0.5 M over 20 column volumes (CV). ACC1-containing fractions were pooled and diluted 1:5 with 25 mM Tris, pH 7.5, 2 mM TCEP, 10% glycerol and direct loaded onto a CaptoQ (GE Healthcare) column and eluted with an NaCl gradient up to 1 M over 20 CV's.	B	7.7	pIC50	20	nM	IC50	US-8993586-B2. N1/N2-lactam acetyl-CoA carboxylase inhibitors (2015)
GtoPdb	-	-	8	pIC50	10	nM	IC50	J Med Chem (2013) 56: 7110-9 [PMID:23981033]
ChEMBL	Inhibition of human ACC1 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition measured after 20 mins by liquid scintillation counting analysis in presence of NaH[14C]O3	B	8	pIC50	10	nM	IC50	J Med Chem (2013) 56: 7110-7119 [PMID:23981033]
Acetyl-CoA carboxylase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4829] [GtoPdb: 1264] [UniProtKB: O00763]
ChEMBL	Inhibition Assay: Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC2 was purchased from Cambridge Bioscience Limited and was sequenced and subcloned into PCDNA5 FRT TO-TOPO (Invitrogen, Carlsbad, Calif.). The ACC2 was expressed in CHO cells by tetracycline induction and harvested in 5 liters of DMEM/F12 with glutamine, biotin, hygromycin and blasticidin with 1 ug/mL tetracycline (Invitrogen, Carlsbad, Calif.). The conditioned medium containing ACC2 was then applied to a Softlink Soft Release Avidin column (Promega, Madison, Wis.) and eluted with 5 mM biotin. 4 mgs of ACC2 were eluted at a concentration of 0.05 mg/mL (determined by A280) with an estimated purity of 95% (determined by A280). The purified ACC2 was dialyzed in 50 mM Tris, 200 mM NaCl, 4 mM DTT, 2 mM EDTA, and 5% glycerol. The pooled protein was frozen and stored at -80 C., with no loss of activity upon thawing.	B	8.28	pIC50	5.2	nM	IC50	US-8993586-B2. N1/N2-lactam acetyl-CoA carboxylase inhibitors (2015)
ChEMBL	Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition measured after 20 mins by liquid scintillation counting analysis in presence of NaH[14C]O3	B	8.4	pIC50	4	nM	IC50	J Med Chem (2013) 56: 7110-7119 [PMID:23981033]
GtoPdb	-	-	8.4	pIC50	4	nM	IC50	J Med Chem (2013) 56: 7110-9 [PMID:23981033]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]