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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 514.6
BDBM50343293

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))
BDBM50343293
PNG
(6-[5-(Cyclopropylmethyl)-4,5-dihydro-1'H,3H-spiro[...)
Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)CCN(CC1CC1)c1ccccc1O2)c1cccnc1
Show InChI InChI=1S/C29H34N6O3/c36-25(22-4-3-14-30-18-22)19-31-28(37)23-9-10-27(33-32-23)34-15-11-29(12-16-34)13-17-35(20-21-7-8-21)24-5-1-2-6-26(24)38-29/h1-6,9-10,14,18,21,25,36H,7-8,11-13,15-17,19-20H2,(H,31,37)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SCD1 transfected in human 293A cells after 30 mins by whole cell assay


Eur J Med Chem 46: 1892-6 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.002
BindingDB Entry DOI: 10.7270/Q25T3KTC
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50343293
PNG
(6-[5-(Cyclopropylmethyl)-4,5-dihydro-1'H,3H-spiro[...)
Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)CCN(CC1CC1)c1ccccc1O2)c1cccnc1
Show InChI InChI=1S/C29H34N6O3/c36-25(22-4-3-14-30-18-22)19-31-28(37)23-9-10-27(33-32-23)34-15-11-29(12-16-34)13-17-35(20-21-7-8-21)24-5-1-2-6-26(24)38-29/h1-6,9-10,14,18,21,25,36H,7-8,11-13,15-17,19-20H2,(H,31,37)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse liver microsome SCD1


Eur J Med Chem 46: 1892-6 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.002
BindingDB Entry DOI: 10.7270/Q25T3KTC
More data for this
Ligand-Target Pair