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BDBM50446458 CHEMBL3109957

SMILES: COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1

InChI Key: InChIKey=VZCBKNMEUYMJGG-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 = 50446458   
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
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50446458
PNG
(CHEMBL3109957)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C18H17N5O/c1-23-11-13(10-20-23)15-7-12-9-19-18(8-16(12)21-15)22-14-5-3-4-6-17(14)24-2/h3-11,21H,1-2H3,(H,19,22)
PDB
MMDB

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PC cid
PC sid
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Similars

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 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
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50446458
PNG
(CHEMBL3109957)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C18H17N5O/c1-23-11-13(10-20-23)15-7-12-9-19-18(8-16(12)21-15)22-14-5-3-4-6-17(14)24-2/h3-11,21H,1-2H3,(H,19,22)
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50446458
PNG
(CHEMBL3109957)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C18H17N5O/c1-23-11-13(10-20-23)15-7-12-9-19-18(8-16(12)21-15)22-14-5-3-4-6-17(14)24-2/h3-11,21H,1-2H3,(H,19,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 120n/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
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50446458
PNG
(CHEMBL3109957)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C18H17N5O/c1-23-11-13(10-20-23)15-7-12-9-19-18(8-16(12)21-15)22-14-5-3-4-6-17(14)24-2/h3-11,21H,1-2H3,(H,19,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.30E+4n/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