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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nicotinamide phosphoribosyltransferase (NAMPT)' and Ligand = 'BDBM180098'   
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
Nicotinamide phosphoribosyltransferase (NAMPT)


(Homo sapiens (Human))
BDBM180098
PNG
(US9676721, 60 2-cyano-1-[(4-{[2-methoxy-4-(trifluo...)
Show SMILES COc1cc(ccc1S(=O)(=O)c1ccc(CNC(Nc2ccncc2)=NC#N)cc1)C(F)(F)F
Show InChI InChI=1S/C22H18F3N5O3S/c1-33-19-12-16(22(23,24)25)4-7-20(19)34(31,32)18-5-2-15(3-6-18)13-28-21(29-14-26)30-17-8-10-27-11-9-17/h2-12H,13H2,1H3,(H2,27,28,29,30)
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a 5.70n/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