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BDBM50379495 CHEMBL2012407

SMILES: Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCCC1

InChI Key: InChIKey=YQEBSIBQRPFUBN-XOIINTDNSA-N

Data: 3 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50379495   
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))
BDBM50379495
PNG
(CHEMBL2012407)
Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C21H25N7O/c1-26-12-16(9-18(26)20(29)27-4-2-3-5-27)24-21-22-10-15-11-23-28(19(15)25-21)17-7-13-6-14(13)8-17/h9-14,17H,2-8H2,1H3,(H,22,24,25)/t13-,14+,17-
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PC cid
PC sid
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n/an/a 40n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50379495
PNG
(CHEMBL2012407)
Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C21H25N7O/c1-26-12-16(9-18(26)20(29)27-4-2-3-5-27)24-21-22-10-15-11-23-28(19(15)25-21)17-7-13-6-14(13)8-17/h9-14,17H,2-8H2,1H3,(H,22,24,25)/t13-,14+,17-
PDB
MMDB

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UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50379495
PNG
(CHEMBL2012407)
Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C21H25N7O/c1-26-12-16(9-18(26)20(29)27-4-2-3-5-27)24-21-22-10-15-11-23-28(19(15)25-21)17-7-13-6-14(13)8-17/h9-14,17H,2-8H2,1H3,(H,22,24,25)/t13-,14+,17-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair