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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50203978   
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 2


(Homo sapiens (Human))
BDBM50203978
PNG
(CHEMBL233384 | N-(4-(2-(2-chloro-4-(cyclopropylmet...)
Show SMILES CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OCC3CC3)cc2Cl)s1 |w:1.0|
Show InChI InChI=1S/C19H19ClN2O3S/c1-12(22-13(2)23)3-7-16-10-21-19(26-16)25-18-8-6-15(9-17(18)20)24-11-14-4-5-14/h6,8-10,12,14H,4-5,11H2,1-2H3,(H,22,23)
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PC cid
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2


Bioorg Med Chem Lett 17: 1961-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.022
BindingDB Entry DOI: 10.7270/Q2W095KS
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50203978
PNG
(CHEMBL233384 | N-(4-(2-(2-chloro-4-(cyclopropylmet...)
Show SMILES CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OCC3CC3)cc2Cl)s1 |w:1.0|
Show InChI InChI=1S/C19H19ClN2O3S/c1-12(22-13(2)23)3-7-16-10-21-19(26-16)25-18-8-6-15(9-17(18)20)24-11-14-4-5-14/h6,8-10,12,14H,4-5,11H2,1-2H3,(H,22,23)
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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1


Bioorg Med Chem Lett 17: 1961-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.022
BindingDB Entry DOI: 10.7270/Q2W095KS
More data for this
Ligand-Target Pair