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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM241246'   
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
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241246
PNG
(US10479788, Example 88 | US11046688, Example 88 | ...)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCC4(COC4)C3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H25N7O2/c1-30-12-18(11-27-30)16-3-4-19(20(9-16)32-2)28-23-26-10-17-5-7-25-22(21(17)29-23)31-8-6-24(13-31)14-33-15-24/h3-5,7,9-12H,6,8,13-15H2,1-2H3,(H,26,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)


BindingDB Entry DOI: 10.7270/Q2BP055X
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241246
PNG
(US10479788, Example 88 | US11046688, Example 88 | ...)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCC4(COC4)C3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H25N7O2/c1-30-12-18(11-27-30)16-3-4-19(20(9-16)32-2)28-23-26-10-17-5-7-25-22(21(17)29-23)31-8-6-24(13-31)14-33-15-24/h3-5,7,9-12H,6,8,13-15H2,1-2H3,(H,26,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/a7.025



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US9409907 (2016)


BindingDB Entry DOI: 10.7270/Q2C24VB2
More data for this
Ligand-Target Pair