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BDBM50314889 5-(5-methoxy-4-oxospiro[chroman-2,4'-piperidine]-1'-ylcarbonyl)-1H-benzo[d]imidazole-2-carboxamide::CHEMBL1091186

SMILES: COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)C(N)=O)CC(=O)c12

InChI Key: InChIKey=ZYVJMXHKISGGOQ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50314889   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50314889
PNG
(5-(5-methoxy-4-oxospiro[chroman-2,4'-piperidine]-1...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)C(N)=O)CC(=O)c12
Show InChI InChI=1S/C23H22N4O5/c1-31-17-3-2-4-18-19(17)16(28)12-23(32-18)7-9-27(10-8-23)22(30)13-5-6-14-15(11-13)26-21(25-14)20(24)29/h2-6,11H,7-10,12H2,1H3,(H2,24,29)(H,25,26)
PDB
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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50314889
PNG
(5-(5-methoxy-4-oxospiro[chroman-2,4'-piperidine]-1...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)C(N)=O)CC(=O)c12
Show InChI InChI=1S/C23H22N4O5/c1-31-17-3-2-4-18-19(17)16(28)12-23(32-18)7-9-27(10-8-23)22(30)13-5-6-14-15(11-13)26-21(25-14)20(24)29/h2-6,11H,7-10,12H2,1H3,(H2,24,29)(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACC1 after 7 mins by liquid scintillation counter


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair