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BDBM420266 4-[2-(Dimethylamino)ethyl]piperazin-1-yl(7S)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-7-ylmethanone::US10487092, Example 114

SMILES: COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1CCN(CCN(C)C)CC1

InChI Key: InChIKey=DVDFFAFFXSOSJJ-SFHVURJKSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 420266   
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
MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D]


(Homo sapiens (Human))
BDBM420266
PNG
(4-[2-(Dimethylamino)ethyl]piperazin-1-yl(7S)-4-[(6...)
Show SMILES COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1CCN(CCN(C)C)CC1 |r|
Show InChI InChI=1S/C27H34N8O2S/c1-32(2)8-9-33-10-12-34(13-11-33)27(36)18-4-5-20-23(14-18)38-26-24(20)25(28-17-29-26)31-21-15-19-6-7-30-35(19)16-22(21)37-3/h6-7,15-18H,4-5,8-14H2,1-3H3,(H,28,29,31)/t18-/m0/s1
PDB

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UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US10487092 (2019)


BindingDB Entry DOI: 10.7270/Q28W3GPZ
More data for this
Ligand-Target Pair