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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nicotinamide phosphoribosyltransferase' and Ligand = 'BDBM216050'   
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


(Homo sapiens (Human))
BDBM216050
PNG
(US9302989, 250)
Show SMILES NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C16H15N3O2/c17-15(20)11-5-7-14(8-6-11)18-16(21)19-9-12-3-1-2-4-13(12)10-19/h1-8H,9-10H2,(H2,17,20)(H,18,21)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
560n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216050
PNG
(US9302989, 250)
Show SMILES NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C16H15N3O2/c17-15(20)11-5-7-14(8-6-11)18-16(21)19-9-12-3-1-2-4-13(12)10-19/h1-8H,9-10H2,(H2,17,20)(H,18,21)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 780n/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
Probe 1:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


US Patent US9302989 (2016)


BindingDB Entry DOI: 10.7270/Q2HH6HX1
More data for this
Ligand-Target Pair