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BDBM186994 US9169209, Table 3, Compound 25

SMILES: CC(C)Oc1cccc(c1)S(=O)(=O)c1ccc(NC(=O)\C=C\c2cccnc2)cc1

InChI Key: InChIKey=AYDKEQPACJVIKJ-MDWZMJQESA-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 = 186994   
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))
BDBM186994
PNG
(US9169209, Table 3, Compound 25)
Show SMILES CC(C)Oc1cccc(c1)S(=O)(=O)c1ccc(NC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C23H22N2O4S/c1-17(2)29-20-6-3-7-22(15-20)30(27,28)21-11-9-19(10-12-21)25-23(26)13-8-18-5-4-14-24-16-18/h3-17H,1-2H3,(H,25,26)/b13-8+
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

n/an/a 1.10n/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