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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 = 'BDBM241256'   
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))
BDBM241256
PNG
(US9409907, 98)
Show SMILES COCCOc1cc(ccc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H24N8O2/c1-31-14-18(12-27-31)16-4-5-20(21(10-16)34-9-8-33-3)29-24-26-11-17-6-7-25-22(23(17)30-24)19-13-28-32(2)15-19/h4-7,10-15H,8-9H2,1-3H3,(H,26,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 140n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...


J Med Chem 59: 3671-88 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0B6T
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241256
PNG
(US9409907, 98)
Show SMILES COCCOc1cc(ccc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H24N8O2/c1-31-14-18(12-27-31)16-4-5-20(21(10-16)34-9-8-33-3)29-24-26-11-17-6-7-25-22(23(17)30-24)19-13-28-32(2)15-19/h4-7,10-15H,8-9H2,1-3H3,(H,26,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 146n/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