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BDBM50384176 CHEMBL2029904

SMILES: CNCc1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1

InChI Key: InChIKey=VCLDLBGMMXCQJL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50384176   
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))
BDBM50384176
PNG
(CHEMBL2029904)
Show SMILES CNCc1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
Show InChI InChI=1S/C24H34N8O/c1-25-15-20-12-17-14-26-24(28-22(17)32(20)19-6-4-5-7-19)27-18-13-21(30(3)16-18)23(33)31-10-8-29(2)9-11-31/h12-14,16,19,25H,4-11,15H2,1-3H3,(H,26,27,28)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50384176
PNG
(CHEMBL2029904)
Show SMILES CNCc1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
Show InChI InChI=1S/C24H34N8O/c1-25-15-20-12-17-14-26-24(28-22(17)32(20)19-6-4-5-7-19)27-18-13-21(30(3)16-18)23(33)31-10-8-29(2)9-11-31/h12-14,16,19,25H,4-11,15H2,1-3H3,(H,26,27,28)
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MMDB

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50384176
PNG
(CHEMBL2029904)
Show SMILES CNCc1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
Show InChI InChI=1S/C24H34N8O/c1-25-15-20-12-17-14-26-24(28-22(17)32(20)19-6-4-5-7-19)27-18-13-21(30(3)16-18)23(33)31-10-8-29(2)9-11-31/h12-14,16,19,25H,4-11,15H2,1-3H3,(H,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair