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BDBM50302370 (R)-N-(1-(4-(6-(4-propoxyphenoxy)pyridin-3-yl)phenyl)ethyl)acetamide::CHEMBL567085

SMILES: CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)[C@@H](C)NC(C)=O)cc1

InChI Key: InChIKey=LXMIRMYOAUVODD-QGZVFWFLSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302370   
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))
BDBM50302370
PNG
((R)-N-(1-(4-(6-(4-propoxyphenoxy)pyridin-3-yl)phen...)
Show SMILES CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)[C@@H](C)NC(C)=O)cc1 |r|
Show InChI InChI=1S/C24H26N2O3/c1-4-15-28-22-10-12-23(13-11-22)29-24-14-9-21(16-25-24)20-7-5-19(6-8-20)17(2)26-18(3)27/h5-14,16-17H,4,15H2,1-3H3,(H,26,27)/t17-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 777n/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
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50302370
PNG
((R)-N-(1-(4-(6-(4-propoxyphenoxy)pyridin-3-yl)phen...)
Show SMILES CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)[C@@H](C)NC(C)=O)cc1 |r|
Show InChI InChI=1S/C24H26N2O3/c1-4-15-28-22-10-12-23(13-11-22)29-24-14-9-21(16-25-24)20-7-5-19(6-8-20)17(2)26-18(3)27/h5-14,16-17H,4,15H2,1-3H3,(H,26,27)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>3.00E+4n/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