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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 = 'BDBM102856'   
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))
BDBM102856
PNG
(US8541572, 945)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N=O)N3CCC(=O)CC3)C(=O)c2c1 |r|
Show InChI InChI=1S/C27H25N5O6/c1-38-21-7-6-19-15-32(24(34)22(19)14-21)16-27(25(35)28-26(36)29-27)11-8-17-2-4-18(5-3-17)23(30-37)31-12-9-20(33)10-13-31/h2-7,14,23H,9-10,12-13,15-16H2,1H3,(H2,28,29,35,36)/t23?,27-/m1/s1
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PC cid
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US Patent
0.170n/a 86n/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