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BDBM180110 US9676721, 35 2-cyano-1-({4-[(3-ethoxybenzene)sulfonyl]phenyl}methyl)-3-(pyridin-4-yl)guanidine

SMILES: CCOc1cccc(c1)S(=O)(=O)c1ccc(CNC(Nc2ccncc2)=NC#N)cc1

InChI Key: InChIKey=LINWFOFHBQEZGG-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 180110   
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
Nicotinamide phosphoribosyltransferase (NAMPT)


(Homo sapiens (Human))
BDBM180110
PNG
(US9676721, 35 2-cyano-1-({4-[(3-ethoxybenzene)sulf...)
Show SMILES CCOc1cccc(c1)S(=O)(=O)c1ccc(CNC(Nc2ccncc2)=NC#N)cc1
Show InChI InChI=1S/C22H21N5O3S/c1-2-30-19-4-3-5-21(14-19)31(28,29)20-8-6-17(7-9-20)15-25-22(26-16-23)27-18-10-12-24-13-11-18/h3-14H,2,15H2,1H3,(H2,24,25,26,27)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 4.30n/an/an/an/a7.525



FORMA TM, LLC

US Patent


Assay Description
The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The...


US Patent US9676721 (2017)


BindingDB Entry DOI: 10.7270/Q2VD6WMM
More data for this
Ligand-Target Pair