BDBM50127720 CHEMBL3629711

SMILES: Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OCC(C)(C)C)CC1

InChI Key: InChIKey=DHJDJBCHPIKMML-UHFFFAOYSA-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 = 50127720   

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) (Rattus norvegicus (Rat))	BDBM50127720 (CHEMBL3629711) Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OCC(C)(C)C)CC1 Show InChI InChI=1S/C23H32N4O3/c1-16-11-17(12-18-13-24-25-19(16)18)20(28)26-8-5-23(6-9-26)7-10-27(14-23)21(29)30-15-22(2,3)4/h11-13H,5-10,14-15H2,1-4H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Curated by ChEMBL					Assay Description Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil...				Bioorg Med Chem Lett 25: 5352-6 (2015) BindingDB Entry DOI: 10.7270/Q2W37Z4R
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50127720 (CHEMBL3629711) Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OCC(C)(C)C)CC1 Show InChI InChI=1S/C23H32N4O3/c1-16-11-17(12-18-13-24-25-19(16)18)20(28)26-8-5-23(6-9-26)7-10-27(14-23)21(29)30-15-22(2,3)4/h11-13H,5-10,14-15H2,1-4H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Curated by ChEMBL					Assay Description Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay				Bioorg Med Chem Lett 25: 5352-6 (2015) BindingDB Entry DOI: 10.7270/Q2W37Z4R
					More data for this Ligand-Target Pair