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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nicotinamide phosphoribosyltransferase' and Ligand = 'BDBM50448645'   
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))
BDBM50448645
PNG
(CHEMBL3127512)
Show SMILES O=C(NCCCCS(=O)(=O)c1ccccc1)c1ccc2nccn2c1
Show InChI InChI=1S/C18H19N3O3S/c22-18(15-8-9-17-19-11-12-21(17)14-15)20-10-4-5-13-25(23,24)16-6-2-1-3-7-16/h1-3,6-9,11-12,14H,4-5,10,13H2,(H,20,22)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 750n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...


J Med Chem 57: 770-92 (2014)


Article DOI: 10.1021/jm4015108
BindingDB Entry DOI: 10.7270/Q2BC412B
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50448645
PNG
(CHEMBL3127512)
Show SMILES O=C(NCCCCS(=O)(=O)c1ccccc1)c1ccc2nccn2c1
Show InChI InChI=1S/C18H19N3O3S/c22-18(15-8-9-17-19-11-12-21(17)14-15)20-10-4-5-13-25(23,24)16-6-2-1-3-7-16/h1-3,6-9,11-12,14H,4-5,10,13H2,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 860n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to NAMPT (2 to 491) (unknown origin) by surface plasmon resonance analysis


J Med Chem 57: 770-92 (2014)


Article DOI: 10.1021/jm4015108
BindingDB Entry DOI: 10.7270/Q2BC412B
More data for this
Ligand-Target Pair