new BindingDB logo
myBDB logout

BDBM50394792 CHEMBL2163396

SMILES: Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)NS(C)(=O)=O)cc3)nn3cccc23)n[nH]1

InChI Key: InChIKey=XNVZCKOKNDLDRL-QGZVFWFLSA-N

Data: 1 IC50  2 Kd

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 3 hits for monomerid = 50394792   
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))
BDBM50394792
PNG
(CHEMBL2163396)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)NS(C)(=O)=O)cc3)nn3cccc23)n[nH]1 |r|
Show InChI InChI=1S/C23H27N9O3S2/c1-15-12-20(28-27-15)25-22-19-4-3-10-32(19)29-23(26-22)36-18-7-5-16(6-8-18)24-21(33)14-31-11-9-17(13-31)30-37(2,34)35/h3-8,10,12,17,30H,9,11,13-14H2,1-2H3,(H,24,33)(H2,25,26,27,28,29)/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.20n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to Aurora kinase B catalytic domain by competition binding assay


J Med Chem 55: 3250-60 (2012)


Article DOI: 10.1021/jm201702g
BindingDB Entry DOI: 10.7270/Q2W0971F
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50394792
PNG
(CHEMBL2163396)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)NS(C)(=O)=O)cc3)nn3cccc23)n[nH]1 |r|
Show InChI InChI=1S/C23H27N9O3S2/c1-15-12-20(28-27-15)25-22-19-4-3-10-32(19)29-23(26-22)36-18-7-5-16(6-8-18)24-21(33)14-31-11-9-17(13-31)30-37(2,34)35/h3-8,10,12,17,30H,9,11,13-14H2,1-2H3,(H,24,33)(H2,25,26,27,28,29)/t17-/m1/s1
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/an/a 12n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase A autophosphorylation in human HEK293 cells after 2 hrs by phosphor antibody readout assay


J Med Chem 55: 3250-60 (2012)


Article DOI: 10.1021/jm201702g
BindingDB Entry DOI: 10.7270/Q2W0971F
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50394792
PNG
(CHEMBL2163396)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)NS(C)(=O)=O)cc3)nn3cccc23)n[nH]1 |r|
Show InChI InChI=1S/C23H27N9O3S2/c1-15-12-20(28-27-15)25-22-19-4-3-10-32(19)29-23(26-22)36-18-7-5-16(6-8-18)24-21(33)14-31-11-9-17(13-31)30-37(2,34)35/h3-8,10,12,17,30H,9,11,13-14H2,1-2H3,(H,24,33)(H2,25,26,27,28,29)/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 362n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase B-mediated histone H3 Ser10 phosphorylation in human HCT116 cells after 2 hrs by sandwich ELISA


J Med Chem 55: 3250-60 (2012)


Article DOI: 10.1021/jm201702g
BindingDB Entry DOI: 10.7270/Q2W0971F
More data for this
Ligand-Target Pair