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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 474.5
BDBM50306113

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))
BDBM50306113
PNG
(CHEMBL594083 | N-(2-hydroxy-2-phenylethyl)-6-(4-me...)
Show SMILES COC1CC2(CCN(CC2)c2ccc(nn2)C(=O)NCC(O)c2ccccc2)Oc2ccccc12
Show InChI InChI=1S/C27H30N4O4/c1-34-24-17-27(35-23-10-6-5-9-20(23)24)13-15-31(16-14-27)25-12-11-21(29-30-25)26(33)28-18-22(32)19-7-3-2-4-8-19/h2-12,22,24,32H,13-18H2,1H3,(H,28,33)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/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)
BDBM50306113
PNG
(CHEMBL594083 | N-(2-hydroxy-2-phenylethyl)-6-(4-me...)
Show SMILES COC1CC2(CCN(CC2)c2ccc(nn2)C(=O)NCC(O)c2ccccc2)Oc2ccccc12
Show InChI InChI=1S/C27H30N4O4/c1-34-24-17-27(35-23-10-6-5-9-20(23)24)13-15-31(16-14-27)25-12-11-21(29-30-25)26(33)28-18-22(32)19-7-3-2-4-8-19/h2-12,22,24,32H,13-18H2,1H3,(H,28,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/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