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BDBM50446454 CHEMBL3109959

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

InChI Key: InChIKey=UNVSMSCAFUYXNO-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 = 50446454   
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
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50446454
PNG
(CHEMBL3109959)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C18H15F2N5O/c1-26-16-5-3-2-4-13(16)24-17-7-15-11(8-21-17)6-14(23-15)12-9-22-25(10-12)18(19)20/h2-10,18,23H,1H3,(H,21,24)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
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 CDK2/Cyclin A (unknown origin) using 5FAMQSPKKG-CONH2 as substrate after 60 mins by fluorescence assay


J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50446454
PNG
(CHEMBL3109959)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C18H15F2N5O/c1-26-16-5-3-2-4-13(16)24-17-7-15-11(8-21-17)6-14(23-15)12-9-22-25(10-12)18(19)20/h2-10,18,23H,1H3,(H,21,24)
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CHEMBL
PC cid
PC sid
UniChem
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)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50446454
PNG
(CHEMBL3109959)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C18H15F2N5O/c1-26-16-5-3-2-4-13(16)24-17-7-15-11(8-21-17)6-14(23-15)12-9-22-25(10-12)18(19)20/h2-10,18,23H,1H3,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 460n/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)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50446454
PNG
(CHEMBL3109959)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C18H15F2N5O/c1-26-16-5-3-2-4-13(16)24-17-7-15-11(8-21-17)6-14(23-15)12-9-22-25(10-12)18(19)20/h2-10,18,23H,1H3,(H,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>4.00E+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)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair