BDBM50127716 CHEMBL3629715

SMILES: CC1N(CC11CCN(CC1)C(=O)c1cc(C)c2[nH]ncc2c1)C(=O)OC(C)(C)C

InChI Key: InChIKey=WRUILKJTHUVLGG-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 = 50127716   

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))	BDBM50127716 (CHEMBL3629715) Show SMILES CC1N(CC11CCN(CC1)C(=O)c1cc(C)c2[nH]ncc2c1)C(=O)OC(C)(C)C Show InChI InChI=1S/C22H30N4O3/c1-14-10-16(11-17-12-23-24-18(14)17)19(27)25-8-6-22(7-9-25)13-26(15(22)2)20(28)29-21(3,4)5/h10-12,15H,6-9,13H2,1-5H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	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))	BDBM50127716 (CHEMBL3629715) Show SMILES CC1N(CC11CCN(CC1)C(=O)c1cc(C)c2[nH]ncc2c1)C(=O)OC(C)(C)C Show InChI InChI=1S/C22H30N4O3/c1-14-10-16(11-17-12-23-24-18(14)17)19(27)25-8-6-22(7-9-25)13-26(15(22)2)20(28)29-21(3,4)5/h10-12,15H,6-9,13H2,1-5H3,(H,23,24)	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	900	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