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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 = 'BDBM50512324'   
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))
BDBM50512324
PNG
(CHEMBL4521278)
Show SMILES COc1cc(ccc1Nc1nc(O[C@H]2CCOC(C)(C)C2)c2cc[nH]c2n1)N1CCN(CC1)C(=O)CO |r|
Show InChI InChI=1S/C26H34N6O5/c1-26(2)15-18(7-13-36-26)37-24-19-6-8-27-23(19)29-25(30-24)28-20-5-4-17(14-21(20)35-3)31-9-11-32(12-10-31)22(34)16-33/h4-6,8,14,18,33H,7,9-13,15-16H2,1-3H3,(H2,27,28,29,30)/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of Kinase Tracer 236 binding to recombinant human full-length GST-tagged TTk expressed in baculovirus expression system measured after 1 h...


J Med Chem 62: 4401-4410 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50512324
PNG
(CHEMBL4521278)
Show SMILES COc1cc(ccc1Nc1nc(O[C@H]2CCOC(C)(C)C2)c2cc[nH]c2n1)N1CCN(CC1)C(=O)CO |r|
Show InChI InChI=1S/C26H34N6O5/c1-26(2)15-18(7-13-36-26)37-24-19-6-8-27-23(19)29-25(30-24)28-20-5-4-17(14-21(20)35-3)31-9-11-32(12-10-31)22(34)16-33/h4-6,8,14,18,33H,7,9-13,15-16H2,1-3H3,(H2,27,28,29,30)/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of TTK autophosphorylation in human CAL51 cells by radioimmuno-precipitation assay


J Med Chem 62: 4401-4410 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN
More data for this
Ligand-Target Pair