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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM102800'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tumor necrosis factor


(Homo sapiens (Human))
BDBM102800
PNG
(US8541572, 2233)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(c3)-c3csc(N)n3)C(=O)c2c1 |r|
Show InChI InChI=1S/C23H18N6O4S/c1-33-16-3-2-14-10-29(19(30)17(14)7-16)12-23(20(31)27-22(32)28-23)5-4-13-6-15(9-25-8-13)18-11-34-21(24)26-18/h2-3,6-9,11H,10,12H2,1H3,(H2,24,26)(H2,27,28,31,32)/t23-/m1/s1
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MMDB

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PC cid
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US Patent
0.150n/a 811n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)


BindingDB Entry DOI: 10.7270/Q2QC024J
More data for this
Ligand-Target Pair