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BDBM50446460 CHEMBL3109953

SMILES: COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1

InChI Key: InChIKey=PSDOGBDKRWOMIK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50446460   
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))
BDBM50446460
PNG
(CHEMBL3109953)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C17H15N5O/c1-23-16-5-3-2-4-13(16)22-17-7-15-11(8-18-17)6-14(21-15)12-9-19-20-10-12/h2-10,21H,1H3,(H,18,22)(H,19,20)
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MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 25n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...


J Med Chem 56: 10045-65 (2013)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50446460
PNG
(CHEMBL3109953)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C17H15N5O/c1-23-16-5-3-2-4-13(16)22-17-7-15-11(8-18-17)6-14(21-15)12-9-19-20-10-12/h2-10,21H,1H3,(H,18,22)(H,19,20)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length Aurora B (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins by fluorescence assay


J Med Chem 56: 10045-65 (2013)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50446460
PNG
(CHEMBL3109953)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C17H15N5O/c1-23-16-5-3-2-4-13(16)22-17-7-15-11(8-18-17)6-14(21-15)12-9-19-20-10-12/h2-10,21H,1H3,(H,18,22)(H,19,20)
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antibodypedia
antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 970n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length CDK2/Cyclin A (unknown origin) using 5FAMQSPKKG-CONH2 as substrate after 60 mins by fluorescence assay


J Med Chem 56: 10045-65 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50446460
PNG
(CHEMBL3109953)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C17H15N5O/c1-23-16-5-3-2-4-13(16)22-17-7-15-11(8-18-17)6-14(21-15)12-9-19-20-10-12/h2-10,21H,1H3,(H,18,22)(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Aurora A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins by fluorescence assay


J Med Chem 56: 10045-65 (2013)

More data for this
Ligand-Target Pair