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BDBM102863 US8541572, 2257

SMILES: COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3C)C3(C)NC(=O)NC3=O)C(=O)c2c1

InChI Key: InChIKey=JBWLKPFUUULOFZ-FXDYGKIASA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 102863   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tumor necrosis factor


(Homo sapiens (Human))
BDBM102863
PNG
(US8541572, 2257)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3C)C3(C)NC(=O)NC3=O)C(=O)c2c1 |r|
Show InChI InChI=1S/C26H23N5O6/c1-14-10-17(25(2)21(33)27-23(35)29-25)6-4-15(14)8-9-26(22(34)28-24(36)30-26)13-31-12-16-5-7-18(37-3)11-19(16)20(31)32/h4-7,10-11H,12-13H2,1-3H3,(H2,27,29,33,35)(H2,28,30,34,36)/t25?,26-/m1/s1
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MMDB

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PC cid
PC sid
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US Patent
0.100n/a 490n/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