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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 = 'BDBM102858'   
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))
BDBM102858
PNG
(US8541572, 951)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(s3)C(N=O)N3CCN(C)CC3)C(=O)c2c1 |r|
Show InChI InChI=1S/C25H26N6O5S/c1-29-9-11-30(12-10-29)21(28-35)20-6-5-18(37-20)7-8-25(23(33)26-24(34)27-25)15-31-14-16-3-4-17(36-2)13-19(16)22(31)32/h3-6,13,21H,9-12,14-15H2,1-2H3,(H2,26,27,33,34)/t21?,25-/m1/s1
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PC cid
PC sid
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US Patent
0.120n/a 220n/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