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BDBM50348639 CHEMBL1801129

SMILES: Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)S(C)=O)sn1

InChI Key: InChIKey=XLKQULZCNWBLGW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50348639   
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 A


(Homo sapiens (Human))
BDBM50348639
PNG
(CHEMBL1801129)
Show SMILES Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)S(C)=O)sn1
Show InChI InChI=1S/C14H13N7OS2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)24(2)22/h3-7H,1-2H3,(H,16,17)(H,18,19)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 20: 5170-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.008
BindingDB Entry DOI: 10.7270/Q2Q81DGH
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50348639
PNG
(CHEMBL1801129)
Show SMILES Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)S(C)=O)sn1
Show InChI InChI=1S/C14H13N7OS2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)24(2)22/h3-7H,1-2H3,(H,16,17)(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 185n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 20: 5170-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.008
BindingDB Entry DOI: 10.7270/Q2Q81DGH
More data for this
Ligand-Target Pair