BDBM50127751 CHEMBL3629704

SMILES: Cc1cc(cc2cn[nH]c12)C(=O)N1CC2(C1)CCN(CC2)C(=O)OC(C)(C)C

InChI Key: InChIKey=BLXPQTMNYUXYSP-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 = 50127751   

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))	BDBM50127751 (CHEMBL3629704) Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CC2(C1)CCN(CC2)C(=O)OC(C)(C)C Show InChI InChI=1S/C21H28N4O3/c1-14-9-15(10-16-11-22-23-17(14)16)18(26)25-12-21(13-25)5-7-24(8-6-21)19(27)28-20(2,3)4/h9-11H,5-8,12-13H2,1-4H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	810	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))	BDBM50127751 (CHEMBL3629704) Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CC2(C1)CCN(CC2)C(=O)OC(C)(C)C Show InChI InChI=1S/C21H28N4O3/c1-14-9-15(10-16-11-22-23-17(14)16)18(26)25-12-21(13-25)5-7-24(8-6-21)19(27)28-20(2,3)4/h9-11H,5-8,12-13H2,1-4H3,(H,22,23)	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	2.40E+3	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