Reaction Details Report a problem with these data
Target
Nicotinamide phosphoribosyltransferase
Ligand
BDBM50347414
Substrate
n/a
Meas. Tech.
ChEMBL_754944 (CHEMBL1805766)
IC50
31±n/a nM
Citation
 Lockman, JW; Murphy, BR; Zigar, DF; Judd, WR; Slattum, PM; Gao, ZH; Ostanin, K; Green, J; McKinnon, R; Terry-Lorenzo, RT; Fleischer, TC; Boniface, JJ; Shenderovich, M; Willardsen, JA Analogues of 4-[(7-Bromo-2-methyl-4-oxo-3H-quinazolin-6-yl)methylprop-2-ynylamino]-N-(3-pyridylmethyl)benzamide (CB-30865) as potent inhibitors of nicotinamide phosphoribosyltransferase (Nampt). J Med Chem 53:8734-46 (2010) [PubMed]  Article 
Target
Name:
Nicotinamide phosphoribosyltransferase
Synonyms:
NAMPT | NAMPT_HUMAN | NAmPRTase | Nicotinamide phosphoribosyltransferase | Nicotinamide phosphoribosyltransferase (NAMPT) | PBEF | PBEF1 | Pre-B-cell colony-enhancing factor 1
Type:
Enzyme
Mol. Mass.:
55524.98
Organism:
Homo sapiens (Human)
Description:
P43490
Residue:
491
Sequence:
MNPAAEAEFNILLATDSYKVTHYKQYPPNTSKVYSYFECREKKTENSKLRKVKYEETVFYGLQYILNKYLKGKVVTKEKIQEAKDVYKEHFQDDVFNEKGWNYILEKYDGHLPIEIKAVPEGFVIPRGNVLFTVENTDPECYWLTNWIETILVQSWYPITVATNSREQKKILAKYLLETSGNLDGLEYKLHDFGYRGVSSQETAGIGASAHLVNFKGTDTVAGLALIKKYYGTKDPVPGYSVPAAEHSTITAWGKDHEKDAFEHIVTQFSSVPVSVVSDSYDIYNACEKIWGEDLRHLIVSRSTQAPLIIRPDSGNPLDTVLKVLEILGKKFPVTENSKGYKLLPPYLRVIQGDGVDINTLQEIVEGMKQKMWSIENIAFGSGGGLLQKLTRDLLNCSFKCSYVVTNGLGINVFKDPVADPNKRSKKGRLSLHRTPAGNFVTLEEGKGDLEEYGQDLLHTVFKNGKVTKSYSFDEIRKNAQLNIELEAAHH
  
Inhibitor
Name:
BDBM50347414
Synonyms:
CHEMBL1801553
Type:
Small organic molecule
Emp. Form.:
C31H32N6O2
Mol. Mass.:
520.6248
SMILES:
CC(C)=CCN(Cc1ccc2nc(C)n(C)c(=O)c2c1)c1ccc(cc1)C(=O)NCc1nc2ccccc2[nH]1 |(1.79,-27.5,;.45,-26.73,;-.88,-27.5,;.45,-25.19,;-.89,-24.42,;-.9,-22.88,;-2.23,-22.12,;-3.56,-22.89,;-3.56,-24.43,;-4.89,-25.2,;-6.22,-24.43,;-7.55,-25.2,;-8.87,-24.44,;-10.21,-25.21,;-8.87,-22.9,;-10.21,-22.13,;-7.55,-22.12,;-7.55,-20.58,;-6.22,-22.9,;-4.89,-22.13,;.44,-22.11,;1.77,-22.88,;3.1,-22.1,;3.1,-20.56,;1.75,-19.8,;.42,-20.57,;4.43,-19.78,;4.42,-18.24,;5.76,-20.55,;7.1,-19.77,;8.43,-20.54,;9.84,-19.9,;10.88,-21.04,;12.41,-21.03,;13.19,-22.35,;12.43,-23.69,;10.89,-23.7,;10.11,-22.38,;8.61,-22.07,)|
Structure:
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