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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 456.5
BDBM50306107

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM50306107
PNG
(CHEMBL604995 | N-(2-hydroxy-2-phenylethyl)-6-(1-ox...)
Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)CCc1ccccc1C2=O)c1ccccc1
Show InChI InChI=1S/C27H28N4O3/c32-23(20-7-2-1-3-8-20)18-28-26(34)22-10-11-24(30-29-22)31-16-14-27(15-17-31)13-12-19-6-4-5-9-21(19)25(27)33/h1-11,23,32H,12-18H2,(H,28,34)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human 293A cells assessed as conversion of [14C]stearate to [14C]oleate after 60 mins in presence of S9 microsomal fraction


Bioorg Med Chem Lett 20: 746-54 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.043
BindingDB Entry DOI: 10.7270/Q28C9WBJ
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50306107
PNG
(CHEMBL604995 | N-(2-hydroxy-2-phenylethyl)-6-(1-ox...)
Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)CCc1ccccc1C2=O)c1ccccc1
Show InChI InChI=1S/C27H28N4O3/c32-23(20-7-2-1-3-8-20)18-28-26(34)22-10-11-24(30-29-22)31-16-14-27(15-17-31)13-12-19-6-4-5-9-21(19)25(27)33/h1-11,23,32H,12-18H2,(H,28,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomal liver S9 microsomal fraction assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 20: 746-54 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.043
BindingDB Entry DOI: 10.7270/Q28C9WBJ
More data for this
Ligand-Target Pair