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BDBM102835 US8541572, 912

SMILES: COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N=O)N3CCSCC3)C(=O)c2c1

InChI Key: InChIKey=QKXVYRQVCUTSOJ-ZWAGFTRDSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 102835   
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))
BDBM102835
PNG
(US8541572, 912)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N=O)N3CCSCC3)C(=O)c2c1 |r|
Show InChI InChI=1S/C26H25N5O5S/c1-36-20-7-6-19-15-31(23(32)21(19)14-20)16-26(24(33)27-25(34)28-26)9-8-17-2-4-18(5-3-17)22(29-35)30-10-12-37-13-11-30/h2-7,14,22H,10-13,15-16H2,1H3,(H2,27,28,33,34)/t22?,26-/m1/s1
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PC cid
PC sid
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US Patent
0.160n/a 153n/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