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BDBM230979 US10188642, Example 106::US9334286, 106

SMILES: COc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC2(O)CCC2)c1)-c1cnc(C)n1C

InChI Key: InChIKey=JUNHHUALAJRVGQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 230979   
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))
BDBM230979
PNG
(US10188642, Example 106 | US9334286, 106)
Show SMILES COc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC2(O)CCC2)c1)-c1cnc(C)n1C
Show InChI InChI=1S/C28H29N7O2/c1-18-29-15-25(34(18)2)19-5-8-23(26(11-19)37-3)33-27-12-24-20(13-30-27)6-7-22(32-24)21-14-31-35(16-21)17-28(36)9-4-10-28/h5-8,11-16,36H,4,9-10,17H2,1-3H3,(H,30,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent




US Patent US10188642 (2019)


BindingDB Entry DOI: 10.7270/Q2D50Q2N
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230979
PNG
(US10188642, Example 106 | US9334286, 106)
Show SMILES COc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC2(O)CCC2)c1)-c1cnc(C)n1C
Show InChI InChI=1S/C28H29N7O2/c1-18-29-15-25(34(18)2)19-5-8-23(26(11-19)37-3)33-27-12-24-20(13-30-27)6-7-22(32-24)21-14-31-35(16-21)17-28(36)9-4-10-28/h5-8,11-16,36H,4,9-10,17H2,1-3H3,(H,30,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair