new BindingDB logo
myBDB logout

BDBM50446433 CHEMBL3109963

SMILES: COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1c(C)noc1C

InChI Key: InChIKey=RYIUOAMMKCYEPW-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 = 50446433   
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
Aurora kinase B


(Homo sapiens (Human))
BDBM50446433
PNG
(CHEMBL3109963)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1c(C)noc1C
Show InChI InChI=1S/C19H18N4O2/c1-11-19(12(2)25-23-11)16-8-13-10-20-18(9-15(13)21-16)22-14-6-4-5-7-17(14)24-3/h4-10,21H,1-3H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+4n/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))
BDBM50446433
PNG
(CHEMBL3109963)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1c(C)noc1C
Show InChI InChI=1S/C19H18N4O2/c1-11-19(12(2)25-23-11)16-8-13-10-20-18(9-15(13)21-16)22-14-6-4-5-7-17(14)24-3/h4-10,21H,1-3H3,(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+3n/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
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50446433
PNG
(CHEMBL3109963)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1c(C)noc1C
Show InChI InChI=1S/C19H18N4O2/c1-11-19(12(2)25-23-11)16-8-13-10-20-18(9-15(13)21-16)22-14-6-4-5-7-17(14)24-3/h4-10,21H,1-3H3,(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
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 A


(Homo sapiens (Human))
BDBM50446433
PNG
(CHEMBL3109963)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1c(C)noc1C
Show InChI InChI=1S/C19H18N4O2/c1-11-19(12(2)25-23-11)16-8-13-10-20-18(9-15(13)21-16)22-14-6-4-5-7-17(14)24-3/h4-10,21H,1-3H3,(H,20,22)
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>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)


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