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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50127725   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50127725
PNG
(CHEMBL3629706)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OC(C)(C)C)C1
Show InChI InChI=1S/C21H28N4O3/c1-14-9-15(10-16-11-22-23-17(14)16)18(26)24-7-5-21(12-24)6-8-25(13-21)19(27)28-20(2,3)4/h9-11H,5-8,12-13H2,1-4H3,(H,22,23)
PDB

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UniProtKB/SwissProt

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GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil...


Bioorg Med Chem Lett 25: 5352-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50127725
PNG
(CHEMBL3629706)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OC(C)(C)C)C1
Show InChI InChI=1S/C21H28N4O3/c1-14-9-15(10-16-11-22-23-17(14)16)18(26)24-7-5-21(12-24)6-8-25(13-21)19(27)28-20(2,3)4/h9-11H,5-8,12-13H2,1-4H3,(H,22,23)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5352-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R
More data for this
Ligand-Target Pair