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BDBM181670 US9676721, 16 1-[(4-{[3-chloro-5-(trifluoromethyl)benzene]sulfonyl}phenyl)methyl]-2-cyano-3-(pyridin-4-yl)guanidine

SMILES: FC(F)(F)c1cc(Cl)cc(c1)S(=O)(=O)c1ccc(CNC(Nc2ccncc2)=NC#N)cc1

InChI Key: InChIKey=SIPYQWVZBGGDSB-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 181670   
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))
BDBM181670
PNG
(US9676721, 16 1-[(4-{[3-chloro-5-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cc(Cl)cc(c1)S(=O)(=O)c1ccc(CNC(Nc2ccncc2)=NC#N)cc1
Show InChI InChI=1S/C21H15ClF3N5O2S/c22-16-9-15(21(23,24)25)10-19(11-16)33(31,32)18-3-1-14(2-4-18)12-28-20(29-13-26)30-17-5-7-27-8-6-17/h1-11H,12H2,(H2,27,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/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