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SMILES: NCc1cccc(c1)-c1n[nH]c2cccc(Cl)c12

InChI Key: InChIKey=RTCPTVMVVUEHFS-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50053314   
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))
BDBM50053314
PNG
(CHEMBL3330242)
Show SMILES NCc1cccc(c1)-c1n[nH]c2cccc(Cl)c12
Show InChI InChI=1S/C14H12ClN3/c15-11-5-2-6-12-13(11)14(18-17-12)10-4-1-3-9(7-10)8-16/h1-7H,8,16H2,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair