BDBM50350737 CHEMBL1818192

SMILES: CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(Cl)nc3ccccc23)CC1

InChI Key: InChIKey=XISDCSOLCBODPO-WKILWMFISA-N

Data: 2 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 2 hits for monomerid = 50350737   

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) (Homo sapiens (Human))	BDBM50350737 (CHEMBL1818192) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(Cl)nc3ccccc23)CC1 |r,wU:9.8,wD:12.12,(-8.21,-30.81,;-6.87,-30.03,;-6.88,-28.49,;-8.21,-29.26,;-5.54,-30.8,;-4.2,-30.03,;-4.21,-28.48,;-2.87,-30.79,;-2.86,-32.33,;-1.53,-33.1,;-.2,-32.32,;1.13,-33.1,;1.13,-34.64,;2.47,-35.41,;2.46,-36.95,;3.8,-37.73,;5.13,-36.96,;3.8,-39.27,;5.13,-40.03,;5.13,-41.57,;6.47,-42.33,;3.79,-42.34,;2.46,-41.57,;1.13,-42.33,;-.19,-41.56,;-.19,-40.02,;1.14,-39.26,;2.46,-40.03,;-.2,-35.4,;-1.53,-34.64,)| Show InChI InChI=1S/C23H30ClN3O3/c1-23(2,3)30-22(29)26-14-16-10-8-15(9-11-16)13-25-21(28)18-12-20(24)27-19-7-5-4-6-17(18)19/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,25,28)(H,26,29)/t15-,16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.00E+4	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 ACC1 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
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50350737 (CHEMBL1818192) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(Cl)nc3ccccc23)CC1 |r,wU:9.8,wD:12.12,(-8.21,-30.81,;-6.87,-30.03,;-6.88,-28.49,;-8.21,-29.26,;-5.54,-30.8,;-4.2,-30.03,;-4.21,-28.48,;-2.87,-30.79,;-2.86,-32.33,;-1.53,-33.1,;-.2,-32.32,;1.13,-33.1,;1.13,-34.64,;2.47,-35.41,;2.46,-36.95,;3.8,-37.73,;5.13,-36.96,;3.8,-39.27,;5.13,-40.03,;5.13,-41.57,;6.47,-42.33,;3.79,-42.34,;2.46,-41.57,;1.13,-42.33,;-.19,-41.56,;-.19,-40.02,;1.14,-39.26,;2.46,-40.03,;-.2,-35.4,;-1.53,-34.64,)| Show InChI InChI=1S/C23H30ClN3O3/c1-23(2,3)30-22(29)26-14-16-10-8-15(9-11-16)13-25-21(28)18-12-20(24)27-19-7-5-4-6-17(18)19/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,25,28)(H,26,29)/t15-,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.80E+3	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