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BDBM50302364 CHEMBL568362::N-(1-(4'-(4-propoxyphenoxy)biphenyl-4-yl)ethyl)isobutyramide

SMILES: CCCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(=O)C(C)C)cc1

InChI Key: InChIKey=HQBFQVIUPTYFMW-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302364   
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))
BDBM50302364
PNG
(CHEMBL568362 | N-(1-(4'-(4-propoxyphenoxy)biphenyl...)
Show SMILES CCCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(=O)C(C)C)cc1
Show InChI InChI=1S/C27H31NO3/c1-5-18-30-24-14-16-26(17-15-24)31-25-12-10-23(11-13-25)22-8-6-21(7-9-22)20(4)28-27(29)19(2)3/h6-17,19-20H,5,18H2,1-4H3,(H,28,29)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 214n/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))
BDBM50302364
PNG
(CHEMBL568362 | N-(1-(4'-(4-propoxyphenoxy)biphenyl...)
Show SMILES CCCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(=O)C(C)C)cc1
Show InChI InChI=1S/C27H31NO3/c1-5-18-30-24-14-16-26(17-15-24)31-25-12-10-23(11-13-25)22-8-6-21(7-9-22)20(4)28-27(29)19(2)3/h6-17,19-20H,5,18H2,1-4H3,(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 188n/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