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BDBM194304 US9199999, 40

SMILES: CNC(=O)N(C)CCC#Cc1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1

InChI Key: InChIKey=VCVUVVNOSISFMD-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 194304   
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))
BDBM194304
PNG
(US9199999, 40)
Show SMILES CNC(=O)N(C)CCC#Cc1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C27H33N7O2/c1-18(2)15-29-24-25-30-16-23(19-8-10-20(11-9-19)26(35)32-21-12-13-21)34(25)17-22(31-24)7-5-6-14-33(4)27(36)28-3/h8-11,16-18,21H,6,12-15H2,1-4H3,(H,28,36)(H,29,31)(H,32,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 60n/an/an/an/a7.722



Bayer Intellectual Property GmbH

US Patent


Assay Description
N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...


US Patent US9199999 (2015)


BindingDB Entry DOI: 10.7270/Q2348J68
More data for this
Ligand-Target Pair