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BDBM241196 US9409907, 38

SMILES: CCN(CC)c1nccc2cnc(Nc3ccc(cc3OC)-c3cnn(C)c3)nc12

InChI Key: InChIKey=VDRDNFWWLJNATM-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 241196   
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
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241196
PNG
(US9409907, 38)
Show SMILES CCN(CC)c1nccc2cnc(Nc3ccc(cc3OC)-c3cnn(C)c3)nc12
Show InChI InChI=1S/C22H25N7O/c1-5-29(6-2)21-20-16(9-10-23-21)12-24-22(27-20)26-18-8-7-15(11-19(18)30-4)17-13-25-28(3)14-17/h7-14H,5-6H2,1-4H3,(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 69n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241196
PNG
(US9409907, 38)
Show SMILES CCN(CC)c1nccc2cnc(Nc3ccc(cc3OC)-c3cnn(C)c3)nc12
Show InChI InChI=1S/C22H25N7O/c1-5-29(6-2)21-20-16(9-10-23-21)12-24-22(27-20)26-18-8-7-15(11-19(18)30-4)17-13-25-28(3)14-17/h7-14H,5-6H2,1-4H3,(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 62n/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)


Article DOI: 10.1021/acs.jmedchem.5b01811
BindingDB Entry DOI: 10.7270/Q2DZ0B6T
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241196
PNG
(US9409907, 38)
Show SMILES CCN(CC)c1nccc2cnc(Nc3ccc(cc3OC)-c3cnn(C)c3)nc12
Show InChI InChI=1S/C22H25N7O/c1-5-29(6-2)21-20-16(9-10-23-21)12-24-22(27-20)26-18-8-7-15(11-19(18)30-4)17-13-25-28(3)14-17/h7-14H,5-6H2,1-4H3,(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/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)


Article DOI: 10.1021/acs.jmedchem.5b01811
BindingDB Entry DOI: 10.7270/Q2DZ0B6T
More data for this
Ligand-Target Pair