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BDBM50302344 CHEMBL565627::N-(1-(4'-(4-(2-methoxyethyl)phenoxy)biphenyl-4-yl)ethyl)acetamide

SMILES: COCCc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1

InChI Key: InChIKey=NWGBBWJTHKXIFA-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50302344   
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))
BDBM50302344
PNG
(CHEMBL565627 | N-(1-(4'-(4-(2-methoxyethyl)phenoxy...)
Show SMILES COCCc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C25H27NO3/c1-18(26-19(2)27)21-6-8-22(9-7-21)23-10-14-25(15-11-23)29-24-12-4-20(5-13-24)16-17-28-3/h4-15,18H,16-17H2,1-3H3,(H,26,27)
PDB
MMDB

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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 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


(Homo sapiens (Human))
BDBM50302344
PNG
(CHEMBL565627 | N-(1-(4'-(4-(2-methoxyethyl)phenoxy...)
Show SMILES COCCc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C25H27NO3/c1-18(26-19(2)27)21-6-8-22(9-7-21)23-10-14-25(15-11-23)29-24-12-4-20(5-13-24)16-17-28-3/h4-15,18H,16-17H2,1-3H3,(H,26,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50302344
PNG
(CHEMBL565627 | N-(1-(4'-(4-(2-methoxyethyl)phenoxy...)
Show SMILES COCCc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C25H27NO3/c1-18(26-19(2)27)21-6-8-22(9-7-21)23-10-14-25(15-11-23)29-24-12-4-20(5-13-24)16-17-28-3/h4-15,18H,16-17H2,1-3H3,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

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Similars

n/an/a 89n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50302344
PNG
(CHEMBL565627 | N-(1-(4'-(4-(2-methoxyethyl)phenoxy...)
Show SMILES COCCc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C25H27NO3/c1-18(26-19(2)27)21-6-8-22(9-7-21)23-10-14-25(15-11-23)29-24-12-4-20(5-13-24)16-17-28-3/h4-15,18H,16-17H2,1-3H3,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 89n/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