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BDBM50384169 CHEMBL2029912

SMILES: CC(C)CCn1cc(cn1)-c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1

InChI Key: InChIKey=LLSACPYCBRAUIJ-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 = 50384169   
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))
BDBM50384169
PNG
(CHEMBL2029912)
Show SMILES CC(C)CCn1cc(cn1)-c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
Show InChI InChI=1S/C30H41N9O/c1-21(2)9-10-38-19-23(18-32-38)26-15-22-17-31-30(34-28(22)39(26)25-7-5-6-8-25)33-24-16-27(36(4)20-24)29(40)37-13-11-35(3)12-14-37/h15-21,25H,5-14H2,1-4H3,(H,31,33,34)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/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))
BDBM50384169
PNG
(CHEMBL2029912)
Show SMILES CC(C)CCn1cc(cn1)-c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
Show InChI InChI=1S/C30H41N9O/c1-21(2)9-10-38-19-23(18-32-38)26-15-22-17-31-30(34-28(22)39(26)25-7-5-6-8-25)33-24-16-27(36(4)20-24)29(40)37-13-11-35(3)12-14-37/h15-21,25H,5-14H2,1-4H3,(H,31,33,34)
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 2n/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))
BDBM50384169
PNG
(CHEMBL2029912)
Show SMILES CC(C)CCn1cc(cn1)-c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
Show InChI InChI=1S/C30H41N9O/c1-21(2)9-10-38-19-23(18-32-38)26-15-22-17-31-30(34-28(22)39(26)25-7-5-6-8-25)33-24-16-27(36(4)20-24)29(40)37-13-11-35(3)12-14-37/h15-21,25H,5-14H2,1-4H3,(H,31,33,34)
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PC cid
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n/an/a 1.40E+3n/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