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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 288.3
BDBM50329987

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

Found 1 hit 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


(Rattus norvegicus (Rat))
BDBM50329987
PNG
(2-(2'-fluorobiphenyl-4-yl)-1H-benzo[d]imidazole | ...)
Show SMILES Fc1ccccc1-c1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H13FN2/c20-16-6-2-1-5-15(16)13-9-11-14(12-10-13)19-21-17-7-3-4-8-18(17)22-19/h1-12H,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of rat SCD1


Bioorg Med Chem Lett 20: 6366-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.094
BindingDB Entry DOI: 10.7270/Q20V8D1P
More data for this
Ligand-Target Pair