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BDBM174874 US9102669, 48

SMILES: Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1nnc2ccccc12

InChI Key: InChIKey=MAALNCIWVRSQCA-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 174874   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM174874
PNG
(US9102669, 48)
Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1nnc2ccccc12
Show InChI InChI=1S/C19H20N8/c1-25-13-14(12-20-25)16-6-7-19(23-21-16)26-10-8-15(9-11-26)27-18-5-3-2-4-17(18)22-24-27/h2-7,12-13,15H,8-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 939n/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