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BDBM180091 US9676721, 3 1-({4-[(3-chloro-4-methoxybenzene)sulfonyl]phenyl}methyl)-2-cyano-3-(pyridin-4-yl)guanidine

SMILES: COc1ccc(cc1Cl)S(=O)(=O)c1ccc(CN\C(Nc2ccncc2)=N/C#N)cc1

InChI Key: InChIKey=PFBWHPVXSSRMSF-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 180091   
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))
BDBM180091
PNG
(US9676721, 3 1-({4-[(3-chloro-4-methoxybenzene)sul...)
Show SMILES COc1ccc(cc1Cl)S(=O)(=O)c1ccc(CN\C(Nc2ccncc2)=N/C#N)cc1
Show InChI InChI=1S/C21H18ClN5O3S/c1-30-20-7-6-18(12-19(20)22)31(28,29)17-4-2-15(3-5-17)13-25-21(26-14-23)27-16-8-10-24-11-9-16/h2-12H,13H2,1H3,(H2,24,25,26,27)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/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