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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 313.3
BDBM50329963

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

Found 3 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))
BDBM50329963
PNG
(2-(2'-fluorobiphenyl-4-yl)-1H-benzo[d]imidazole-6-...)
Show SMILES Fc1ccccc1-c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C#N
Show InChI InChI=1S/C20H12FN3/c21-17-4-2-1-3-16(17)14-6-8-15(9-7-14)20-23-18-10-5-13(12-22)11-19(18)24-20/h1-11H,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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 human 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
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))
BDBM50329963
PNG
(2-(2'-fluorobiphenyl-4-yl)-1H-benzo[d]imidazole-6-...)
Show SMILES Fc1ccccc1-c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C#N
Show InChI InChI=1S/C20H12FN3/c21-17-4-2-1-3-16(17)14-6-8-15(9-7-14)20-23-18-10-5-13(12-22)11-19(18)24-20/h1-11H,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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
Stearoyl-CoA desaturase 5


(Homo sapiens (Human))
BDBM50329963
PNG
(2-(2'-fluorobiphenyl-4-yl)-1H-benzo[d]imidazole-6-...)
Show SMILES Fc1ccccc1-c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C#N
Show InChI InChI=1S/C20H12FN3/c21-17-4-2-1-3-16(17)14-6-8-15(9-7-14)20-23-18-10-5-13(12-22)11-19(18)24-20/h1-11H,(H,23,24)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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 human SCD5


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