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BDBM181459 US9676721, 45 2-cyano-1-({4-[(4-ethoxy-3-fluorobenzene)sulfonyl]phenyl}methyl)-3-(pyridin-4-yl)guanidine

SMILES: CCOc1ccc(cc1F)S(=O)(=O)c1ccc(CNC(Nc2ccncc2)=NC#N)cc1

InChI Key: InChIKey=RGXRHHHMFUCOEN-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 = 181459   
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))
BDBM181459
PNG
(US9676721, 45 2-cyano-1-({4-[(4-ethoxy-3-fluoroben...)
Show SMILES CCOc1ccc(cc1F)S(=O)(=O)c1ccc(CNC(Nc2ccncc2)=NC#N)cc1
Show InChI InChI=1S/C22H20FN5O3S/c1-2-31-21-8-7-19(13-20(21)23)32(29,30)18-5-3-16(4-6-18)14-26-22(27-15-24)28-17-9-11-25-12-10-17/h3-13H,2,14H2,1H3,(H2,25,26,27,28)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 6n/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