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BDBM180268 US9676721, 101 3-[(4-{[2-cyano-3-(pyridin-4-yl)carbamimidamido]methyl}benzene)sulfonyl]-5-fluoro-N,N-dimethylbenzamide

SMILES: CN(C)C(=O)c1cc(F)cc(c1)S(=O)(=O)c1ccc(CN\C(Nc2ccncc2)=N/C#N)cc1

InChI Key: InChIKey=CWYFOOUVCFTPDA-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 180268   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nicotinamide phosphoribosyltransferase (NAMPT)


(Homo sapiens (Human))
BDBM180268
PNG
(US9676721, 101 3-[(4-{[2-cyano-3-(pyridin-4-yl)car...)
Show SMILES CN(C)C(=O)c1cc(F)cc(c1)S(=O)(=O)c1ccc(CN\C(Nc2ccncc2)=N/C#N)cc1
Show InChI InChI=1S/C23H21FN6O3S/c1-30(2)22(31)17-11-18(24)13-21(12-17)34(32,33)20-5-3-16(4-6-20)14-27-23(28-15-25)29-19-7-9-26-10-8-19/h3-13H,14H2,1-2H3,(H2,26,27,28,29)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 4.60n/an/an/an/a7.525



FORMA TM, LLC

US Patent


Assay Description
The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The...


US Patent US9676721 (2017)


BindingDB Entry DOI: 10.7270/Q2VD6WMM
More data for this
Ligand-Target Pair