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BDBM181032 US9676721, 75 2-cyano-1-[(4-{[4-(morpholin-4-yl)benzene]sulfonyl}phenyl)methyl]-3-(pyridin-4-yl)guanidine

SMILES: O=S(=O)(c1ccc(CN\C(Nc2ccncc2)=N/C#N)cc1)c1ccc(cc1)N1CCOCC1

InChI Key: InChIKey=JLYVBAVPQGOGBN-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 = 181032   
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


(Homo sapiens (Human))
BDBM181032
PNG
(US9676721, 75 2-cyano-1-[(4-{[4-(morpholin-4-yl)be...)
Show SMILES O=S(=O)(c1ccc(CN\C(Nc2ccncc2)=N/C#N)cc1)c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C24H24N6O3S/c25-18-28-24(29-20-9-11-26-12-10-20)27-17-19-1-5-22(6-2-19)34(31,32)23-7-3-21(4-8-23)30-13-15-33-16-14-30/h1-12H,13-17H2,(H2,26,27,28,29)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/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