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BDBM180128 US9676721, 83 2-cyano-1-{[4-(2,6-dimethoxypyridine-3-sulfonyl)phenyl]methyl}-3-(pyridin-4-yl)guanidine

SMILES: COc1ccc(c(OC)n1)S(=O)(=O)c1ccc(CNC(Nc2ccncc2)=NC#N)cc1

InChI Key: InChIKey=USBKDDPRUUWXQN-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 = 180128   
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))
BDBM180128
PNG
(US9676721, 83 2-cyano-1-{[4-(2,6-dimethoxypyridine...)
Show SMILES COc1ccc(c(OC)n1)S(=O)(=O)c1ccc(CNC(Nc2ccncc2)=NC#N)cc1
Show InChI InChI=1S/C21H20N6O4S/c1-30-19-8-7-18(20(27-19)31-2)32(28,29)17-5-3-15(4-6-17)13-24-21(25-14-22)26-16-9-11-23-12-10-16/h3-12H,13H2,1-2H3,(H2,23,24,25,26)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.80n/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