BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 394.4
BDBM174898

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))
BDBM174898
PNG
(US9102669, 91 | US9102669, 95)
Show SMILES OCc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12
Show InChI InChI=1S/C20H19FN6O2/c21-15-1-2-17-16(9-15)20(25-29-17)14-5-7-26(8-6-14)18-3-4-19(24-23-18)27-11-13(12-28)10-22-27/h1-4,9-11,14,28H,5-8,12H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 52n/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
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))
BDBM174898
PNG
(US9102669, 91 | US9102669, 95)
Show SMILES OCc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12
Show InChI InChI=1S/C20H19FN6O2/c21-15-1-2-17-16(9-15)20(25-29-17)14-5-7-26(8-6-14)18-3-4-19(24-23-18)27-11-13(12-28)10-22-27/h1-4,9-11,14,28H,5-8,12H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 96n/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