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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 430.4
BDBM50304947

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

Found 3 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))
BDBM50304947
PNG
(6-(4-benzoylpiperidin-1-yl)-N-(2-hydroxy-2-phenyle...)
Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC(CC1)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H26N4O3/c30-22(18-7-3-1-4-8-18)17-26-25(32)21-11-12-23(28-27-21)29-15-13-20(14-16-29)24(31)19-9-5-2-6-10-19/h1-12,20,22,30H,13-17H2,(H,26,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 108n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Scd1 expressed in HEK-293A cells assessed as conversion of [14C]stearate to [14C]oleate pretreated for 30 mins measured after 4 h...


Bioorg Med Chem Lett 20: 341-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.101
BindingDB Entry DOI: 10.7270/Q23X86R7
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50304947
PNG
(6-(4-benzoylpiperidin-1-yl)-N-(2-hydroxy-2-phenyle...)
Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC(CC1)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H26N4O3/c30-22(18-7-3-1-4-8-18)17-26-25(32)21-11-12-23(28-27-21)29-15-13-20(14-16-29)24(31)19-9-5-2-6-10-19/h1-12,20,22,30H,13-17H2,(H,26,32)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 153n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins


Bioorg Med Chem Lett 20: 341-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.101
BindingDB Entry DOI: 10.7270/Q23X86R7
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM50304947
PNG
(6-(4-benzoylpiperidin-1-yl)-N-(2-hydroxy-2-phenyle...)
Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC(CC1)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H26N4O3/c30-22(18-7-3-1-4-8-18)17-26-25(32)21-11-12-23(28-27-21)29-15-13-20(14-16-29)24(31)19-9-5-2-6-10-19/h1-12,20,22,30H,13-17H2,(H,26,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 292n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...


Bioorg Med Chem Lett 20: 341-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.101
BindingDB Entry DOI: 10.7270/Q23X86R7
More data for this
Ligand-Target Pair