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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 = 'BDBM102738'   
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))
BDBM102738
PNG
(US8541572, 1909)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(NC(=O)C4CCN(C)CC4)cc3)C(=O)c2c1 |r|
Show InChI InChI=1S/C28H29N5O5/c1-32-13-10-19(11-14-32)24(34)29-21-6-3-18(4-7-21)9-12-28(26(36)30-27(37)31-28)17-33-16-20-5-8-22(38-2)15-23(20)25(33)35/h3-8,15,19H,10-11,13-14,16-17H2,1-2H3,(H,29,34)(H2,30,31,36,37)/t28-/m1/s1
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MMDB

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PC cid
PC sid
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US Patent
0.170n/a 78n/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