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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 432.4
BDBM174873

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))
BDBM174873
PNG
(US9102669, 45)
Show SMILES CC(=O)Nc1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12
Show InChI InChI=1S/C24H25FN6O/c1-16(32)27-23-6-3-18(15-26-23)21-5-7-24(29-28-21)30-11-9-20(10-12-30)31-13-8-17-2-4-19(25)14-22(17)31/h2-7,14-15,20H,8-13H2,1H3,(H,26,27,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 15n/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...


US Patent US9102669 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X9V
More data for this
Ligand-Target Pair