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BDBM50302336 CHEMBL567499::N-(1-(4'-(4-ethoxyphenoxy)biphenyl-4-yl)ethyl)acetamide

SMILES: CCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1

InChI Key: InChIKey=CEGZSNXAGWBEFK-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302336   
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 1 (ACC1)


(Homo sapiens (Human))
BDBM50302336
PNG
(CHEMBL567499 | N-(1-(4'-(4-ethoxyphenoxy)biphenyl-...)
Show SMILES CCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C24H25NO3/c1-4-27-22-13-15-24(16-14-22)28-23-11-9-21(10-12-23)20-7-5-19(6-8-20)17(2)25-18(3)26/h5-17H,4H2,1-3H3,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.63E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50302336
PNG
(CHEMBL567499 | N-(1-(4'-(4-ethoxyphenoxy)biphenyl-...)
Show SMILES CCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C24H25NO3/c1-4-27-22-13-15-24(16-14-22)28-23-11-9-21(10-12-23)20-7-5-19(6-8-20)17(2)25-18(3)26/h5-17H,4H2,1-3H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 119n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair