BDBM212610 US9278954, 1.1::US9278954, 6.1 isomer 1::US9278954, 6.1 isomer 2

SMILES CC(C(=O)NC1CC1)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(C)O)c2Cl)cc1

InChI Key InChIKey=LVJXWERRPFXOPG-XCWJXAQQSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 212610   

TargetAcetyl-CoA carboxylase 2 [129-967](Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM212610(US9278954, 1.1 | US9278954, 6.1 isomer 1 | US92789...)
Affinity DataIC50:  139nMpH: 7.5Assay Description:Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAcetyl-CoA carboxylase 2 [129-967](Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM212610(US9278954, 1.1 | US9278954, 6.1 isomer 1 | US92789...)
Affinity DataIC50:  775nMpH: 7.5Assay Description:Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAcetyl-CoA carboxylase 2 [129-967](Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM212610(US9278954, 1.1 | US9278954, 6.1 isomer 1 | US92789...)
Affinity DataIC50:  57nMpH: 7.5Assay Description:Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent