BDBM50446528 CHEMBL3110081

SMILES: CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(C)c1

InChI Key: InChIKey=IDCAZOYSDXUCSQ-AWEZNQCLSA-N

Data: 3 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 3 hits for monomerid = 50446528   

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))	BDBM50446528 (CHEMBL3110081) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(C)c1 |r| Show InChI InChI=1S/C18H26N4O2/c1-5-17-19-18(20-24-17)22-10-9-21(12-14(22)4)16-8-7-15(23-6-2)11-13(16)3/h7-8,11,14H,5-6,9-10,12H2,1-4H3/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50446528 (CHEMBL3110081) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(C)c1 |r| Show InChI InChI=1S/C18H26N4O2/c1-5-17-19-18(20-24-17)22-10-9-21(12-14(22)4)16-8-7-15(23-6-2)11-13(16)3/h7-8,11,14H,5-6,9-10,12H2,1-4H3/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50446528 (CHEMBL3110081) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(C)c1 |r| Show InChI InChI=1S/C18H26N4O2/c1-5-17-19-18(20-24-17)22-10-9-21(12-14(22)4)16-8-7-15(23-6-2)11-13(16)3/h7-8,11,14H,5-6,9-10,12H2,1-4H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC1 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair