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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nicotinamide phosphoribosyltransferase' and Ligand = 'BDBM50435378'   
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))
BDBM50435378
PNG
(CHEMBL1586371)
Show SMILES O=S(=O)(N1CCCCC1)c1ccc(NC(=S)NCc2cccnc2)cc1
Show InChI InChI=1S/C18H22N4O2S2/c23-26(24,22-11-2-1-3-12-22)17-8-6-16(7-9-17)21-18(25)20-14-15-5-4-10-19-13-15/h4-10,13H,1-3,11-12,14H2,(H2,20,21,25)
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PC sid
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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Nampt (unknown origin) using NAM/PRPP as substrate preincubated for 15 mins measured after 30 mins


J Med Chem 56: 4921-37 (2013)


Article DOI: 10.1021/jm400186h
BindingDB Entry DOI: 10.7270/Q20G3MJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50435378
PNG
(CHEMBL1586371)
Show SMILES O=S(=O)(N1CCCCC1)c1ccc(NC(=S)NCc2cccnc2)cc1
Show InChI InChI=1S/C18H22N4O2S2/c23-26(24,22-11-2-1-3-12-22)17-8-6-16(7-9-17)21-18(25)20-14-15-5-4-10-19-13-15/h4-10,13H,1-3,11-12,14H2,(H2,20,21,25)
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CHEMBL
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PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 9.90n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NAMPT using NAM as substrate preincubated for 5 mins followed by substrate addition measured after 15 mins by fluores...


J Med Chem 60: 7965-7983 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00467
BindingDB Entry DOI: 10.7270/Q2VM4FDV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)