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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 = 'BDBM102819'   
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))
BDBM102819
PNG
(US8541572, 2252)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(O)(O)C(F)(F)F)C(=O)c2c1 |r|
Show InChI InChI=1S/C23H18F3N3O6/c1-35-16-7-4-14-11-29(18(30)17(14)10-16)12-21(19(31)27-20(32)28-21)9-8-13-2-5-15(6-3-13)22(33,34)23(24,25)26/h2-7,10,33-34H,11-12H2,1H3,(H2,27,28,31,32)/t21-/m1/s1
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MMDB

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PC cid
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US Patent
0.160n/a 258n/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