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BDBM50314896 5-methoxy-1'-(2-phenyl-1H-benzo[d]imidazole-5-carbonyl)spiro[chroman-2,4'-piperidin]-4-one::CHEMBL1090863

SMILES: COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)-c3ccccc3)CC(=O)c12

InChI Key: InChIKey=NJMOIBQTBYWGGX-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50314896   
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))
BDBM50314896
PNG
(5-methoxy-1'-(2-phenyl-1H-benzo[d]imidazole-5-carb...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)-c3ccccc3)CC(=O)c12
Show InChI InChI=1S/C28H25N3O4/c1-34-23-8-5-9-24-25(23)22(32)17-28(35-24)12-14-31(15-13-28)27(33)19-10-11-20-21(16-19)30-26(29-20)18-6-3-2-4-7-18/h2-11,16H,12-15,17H2,1H3,(H,29,30)
PDB
MMDB

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PC cid
PC sid
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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))
BDBM50314896
PNG
(5-methoxy-1'-(2-phenyl-1H-benzo[d]imidazole-5-carb...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)-c3ccccc3)CC(=O)c12
Show InChI InChI=1S/C28H25N3O4/c1-34-23-8-5-9-24-25(23)22(32)17-28(35-24)12-14-31(15-13-28)27(33)19-10-11-20-21(16-19)30-26(29-20)18-6-3-2-4-7-18/h2-11,16H,12-15,17H2,1H3,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
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 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