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BDBM186981 US9169209, Table 3, Compound 12

SMILES: O=C(Nc1ccc(cc1)S(=O)(=O)c1cncc(c1)N1CCCC1)\C=C\c1cccnc1

InChI Key: InChIKey=LCQIWXYMSHHYEZ-BJMVGYQFSA-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 = 186981   
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))
BDBM186981
PNG
(US9169209, Table 3, Compound 12)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)c1cncc(c1)N1CCCC1)\C=C\c1cccnc1
Show InChI InChI=1S/C23H22N4O3S/c28-23(10-5-18-4-3-11-24-15-18)26-19-6-8-21(9-7-19)31(29,30)22-14-20(16-25-17-22)27-12-1-2-13-27/h3-11,14-17H,1-2,12-13H2,(H,26,28)/b10-5+
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/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 US9169209 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JH9
More data for this
Ligand-Target Pair