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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 424.2
BDBM50298907

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))
BDBM50298907
PNG
(CHEMBL572876 | N-(2-(6-(3,4-dichlorobenzylamino)-3...)
Show SMILES OCC(=O)NCCN1C(=O)COc2ccc(NCc3ccc(Cl)c(Cl)c3)cc12
Show InChI InChI=1S/C19H19Cl2N3O4/c20-14-3-1-12(7-15(14)21)9-23-13-2-4-17-16(8-13)24(19(27)11-28-17)6-5-22-18(26)10-25/h1-4,7-8,23,25H,5-6,9-11H2,(H,22,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA delta9 desaturase in human HepG2 cells


Bioorg Med Chem Lett 19: 4070-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.017
BindingDB Entry DOI: 10.7270/Q2959HN8
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))
BDBM50298907
PNG
(CHEMBL572876 | N-(2-(6-(3,4-dichlorobenzylamino)-3...)
Show SMILES OCC(=O)NCCN1C(=O)COc2ccc(NCc3ccc(Cl)c(Cl)c3)cc12
Show InChI InChI=1S/C19H19Cl2N3O4/c20-14-3-1-12(7-15(14)21)9-23-13-2-4-17-16(8-13)24(19(27)11-28-17)6-5-22-18(26)10-25/h1-4,7-8,23,25H,5-6,9-11H2,(H,22,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA delta9 desaturase in rat microsome


Bioorg Med Chem Lett 19: 4070-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.017
BindingDB Entry DOI: 10.7270/Q2959HN8
More data for this
Ligand-Target Pair