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BDBM50446457 CHEMBL3109966

SMILES: Cn1cc(cn1)-c1cc2cnc(Nc3ccccc3Cl)cc2[nH]1

InChI Key: InChIKey=PWUBQFAXBPLSTN-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 = 50446457   
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))
BDBM50446457
PNG
(CHEMBL3109966)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccccc3Cl)cc2[nH]1
Show InChI InChI=1S/C17H14ClN5/c1-23-10-12(9-20-23)15-6-11-8-19-17(7-16(11)21-15)22-14-5-3-2-4-13(14)18/h2-10,21H,1H3,(H,19,22)
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>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))
BDBM50446457
PNG
(CHEMBL3109966)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccccc3Cl)cc2[nH]1
Show InChI InChI=1S/C17H14ClN5/c1-23-10-12(9-20-23)15-6-11-8-19-17(7-16(11)21-15)22-14-5-3-2-4-13(14)18/h2-10,21H,1H3,(H,19,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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))
BDBM50446457
PNG
(CHEMBL3109966)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccccc3Cl)cc2[nH]1
Show InChI InChI=1S/C17H14ClN5/c1-23-10-12(9-20-23)15-6-11-8-19-17(7-16(11)21-15)22-14-5-3-2-4-13(14)18/h2-10,21H,1H3,(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 74n/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))
BDBM50446457
PNG
(CHEMBL3109966)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccccc3Cl)cc2[nH]1
Show InChI InChI=1S/C17H14ClN5/c1-23-10-12(9-20-23)15-6-11-8-19-17(7-16(11)21-15)22-14-5-3-2-4-13(14)18/h2-10,21H,1H3,(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 4.60E+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