BDBM50350736 CHEMBL1818191

SMILES: CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3[nH]ccc23)-c2ccccc2)CC1

InChI Key: InChIKey=MULIXJIKIIMDSI-WGSAOQKQSA-N

Data: 1 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 1 hit for monomerid = 50350736   

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 2 (ACC2) (Homo sapiens (Human))	BDBM50350736 (CHEMBL1818191) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3[nH]ccc23)-c2ccccc2)CC1 |r,wU:9.8,wD:12.12,(45.25,-13.23,;46.58,-12.45,;46.58,-10.91,;45.24,-11.68,;47.92,-13.22,;49.25,-12.44,;49.25,-10.9,;50.59,-13.21,;50.59,-14.75,;51.93,-15.52,;53.26,-14.74,;54.58,-15.52,;54.58,-17.06,;55.92,-17.83,;55.92,-19.37,;57.25,-20.14,;58.58,-19.37,;57.25,-21.68,;58.58,-22.44,;58.58,-23.98,;57.24,-24.75,;55.91,-23.99,;54.44,-24.46,;53.54,-23.2,;54.45,-21.96,;55.92,-22.45,;59.91,-24.74,;59.91,-26.29,;61.24,-27.05,;62.58,-26.28,;62.57,-24.73,;61.23,-23.97,;53.26,-17.82,;51.93,-17.06,)| Show InChI InChI=1S/C27H34N4O3/c1-27(2,3)34-26(33)30-17-19-11-9-18(10-12-19)16-29-25(32)22-15-23(20-7-5-4-6-8-20)31-24-21(22)13-14-28-24/h4-8,13-15,18-19H,9-12,16-17H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)/t18-,19-	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	780	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair