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PDB code 4N9D

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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

  (491/491 = 100%)
(Homo sapiens (Human))
BDBM50447561
PNG
(CHEMBL3105156)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C23H25N3O3S/c1-23(2,3)19-10-12-21(13-11-19)30(28,29)25-15-17-6-8-18(9-7-17)22(27)26-20-5-4-14-24-16-20/h4-14,16,25H,15H2,1-3H3,(H,26,27)
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MMDB

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MCE
PC cid
PC sid
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Similars

PDB
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of full length C-terminal His6-tagged human NAMPT expressed in Escherichia coli Rosetta (DE3) cells using PRPP/NAM as substrate/cofactor p...


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase

  (491/491 = 100%)
(Homo sapiens (Human))
BDBM50447561
PNG
(CHEMBL3105156)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C23H25N3O3S/c1-23(2,3)19-10-12-21(13-11-19)30(28,29)25-15-17-6-8-18(9-7-17)22(27)26-20-5-4-14-24-16-20/h4-14,16,25H,15H2,1-3H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human A2780 cells assessed as reduction in NAD level after 48 hrs by LC-MS/MS analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output