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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50426524   
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 (ACC2)


(Homo sapiens (Human))
BDBM50426524
PNG
(CHEMBL2323629)
Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]c(cc4c3)C(N)=O)CC(=O)c12
Show InChI InChI=1S/C24H27N5O3/c1-14(2)29-21-17(13-26-29)11-24(12-20(21)30)5-7-28(8-6-24)23(32)15-3-4-18-16(9-15)10-19(27-18)22(25)31/h3-4,9-10,13-14,27H,5-8,11-12H2,1-2H3,(H2,25,31)
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2


ACS Med Chem Lett 4: 16-7 (2013)


Article DOI: 10.1021/ml3004044
BindingDB Entry DOI: 10.7270/Q2833TBP
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50426524
PNG
(CHEMBL2323629)
Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]c(cc4c3)C(N)=O)CC(=O)c12
Show InChI InChI=1S/C24H27N5O3/c1-14(2)29-21-17(13-26-29)11-24(12-20(21)30)5-7-28(8-6-24)23(32)15-3-4-18-16(9-15)10-19(27-18)22(25)31/h3-4,9-10,13-14,27H,5-8,11-12H2,1-2H3,(H2,25,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1


ACS Med Chem Lett 4: 16-7 (2013)


Article DOI: 10.1021/ml3004044
BindingDB Entry DOI: 10.7270/Q2833TBP
More data for this
Ligand-Target Pair