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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2 (ACC2)' and Ligand = 'BDBM97610'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97610
PNG
(CHEMBL1630715 | US8470841, 35)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1
Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1
PDB
MMDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 30n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.


US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97610
PNG
(CHEMBL1630715 | US8470841, 35)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1
Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Rattus norvegicus (Rat))
BDBM97610
PNG
(CHEMBL1630715 | US8470841, 35)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1
Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 400n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.


US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair