BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 459.5
BDBM50343287

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
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50343287
PNG
(6-(4,5-dihydro-3H-spiro[benzo[b][1,4]oxazepine-2,4...)
Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)CCNc1ccccc1O2)c1ccccc1
Show InChI InChI=1S/C26H29N5O3/c32-22(19-6-2-1-3-7-19)18-28-25(33)21-10-11-24(30-29-21)31-16-13-26(14-17-31)12-15-27-20-8-4-5-9-23(20)34-26/h1-11,22,27,32H,12-18H2,(H,28,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/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
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM50343287
PNG
(6-(4,5-dihydro-3H-spiro[benzo[b][1,4]oxazepine-2,4...)
Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)CCNc1ccccc1O2)c1ccccc1
Show InChI InChI=1S/C26H29N5O3/c32-22(19-6-2-1-3-7-19)18-28-25(33)21-10-11-24(30-29-21)31-16-13-26(14-17-31)12-15-27-20-8-4-5-9-23(20)34-26/h1-11,22,27,32H,12-18H2,(H,28,33)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human 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