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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 365.3
BDBM50338521

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


(Rattus norvegicus (Rat))
BDBM50338521
PNG
(CHEMBL1683576 | N-(1-methyl-1H-pyrazol-3-yl)-1-(3-...)
Show SMILES Cn1ccc(NC(=O)c2cn(Cc3cccc(OC(F)(F)F)c3)cn2)n1
Show InChI InChI=1S/C16H14F3N5O2/c1-23-6-5-14(22-23)21-15(25)13-9-24(10-20-13)8-11-3-2-4-12(7-11)26-16(17,18)19/h2-7,9-10H,8H2,1H3,(H,21,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA


Bioorg Med Chem Lett 21: 1621-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM50338521
PNG
(CHEMBL1683576 | N-(1-methyl-1H-pyrazol-3-yl)-1-(3-...)
Show SMILES Cn1ccc(NC(=O)c2cn(Cc3cccc(OC(F)(F)F)c3)cn2)n1
Show InChI InChI=1S/C16H14F3N5O2/c1-23-6-5-14(22-23)21-15(25)13-9-24(10-20-13)8-11-3-2-4-12(7-11)26-16(17,18)19/h2-7,9-10H,8H2,1H3,(H,21,22,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SCD1


Bioorg Med Chem Lett 21: 1621-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J
More data for this
Ligand-Target Pair