BDBM50127722 CHEMBL3629709

SMILES: C[C@@H](OC(=O)N1CC2(C1)CCN(CC2)C(=O)c1cc(C)c2[nH]ncc2c1)c1ccccc1

InChI Key: InChIKey=QWYDQOKOJKECFO-GOSISDBHSA-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 = 50127722   

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))	BDBM50127722 (CHEMBL3629709) Show SMILES C[C@@H](OC(=O)N1CC2(C1)CCN(CC2)C(=O)c1cc(C)c2[nH]ncc2c1)c1ccccc1 |r| Show InChI InChI=1S/C25H28N4O3/c1-17-12-20(13-21-14-26-27-22(17)21)23(30)28-10-8-25(9-11-28)15-29(16-25)24(31)32-18(2)19-6-4-3-5-7-19/h3-7,12-14,18H,8-11,15-16H2,1-2H3,(H,26,27)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	310	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))	BDBM50127722 (CHEMBL3629709) Show SMILES C[C@@H](OC(=O)N1CC2(C1)CCN(CC2)C(=O)c1cc(C)c2[nH]ncc2c1)c1ccccc1 |r| Show InChI InChI=1S/C25H28N4O3/c1-17-12-20(13-21-14-26-27-22(17)21)23(30)28-10-8-25(9-11-28)15-29(16-25)24(31)32-18(2)19-6-4-3-5-7-19/h3-7,12-14,18H,8-11,15-16H2,1-2H3,(H,26,27)/t18-/m1/s1	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	880	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