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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 = 'BDBM241288'   
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))
BDBM241288
PNG
(US10479788, Example 130 | US11046688, Example 130 ...)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC(CO)CO)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C21H23N7O3/c1-28-10-15(9-24-28)13-3-4-17(18(7-13)31-2)26-21-23-8-14-5-6-22-20(19(14)27-21)25-16(11-29)12-30/h3-10,16,29-30H,11-12H2,1-2H3,(H,22,25)(H,23,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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))
BDBM241288
PNG
(US10479788, Example 130 | US11046688, Example 130 ...)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC(CO)CO)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C21H23N7O3/c1-28-10-15(9-24-28)13-3-4-17(18(7-13)31-2)26-21-23-8-14-5-6-22-20(19(14)27-21)25-16(11-29)12-30/h3-10,16,29-30H,11-12H2,1-2H3,(H,22,25)(H,23,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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