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BDBM50384175 CHEMBL2029903

SMILES: CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C(N)=O)n(C4CCCC4)c3n2)cn1C

InChI Key: InChIKey=CXCXNZWXDOVZBA-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50384175   
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/Inner centromere protein


(Homo sapiens (Human))
BDBM50384175
PNG
(CHEMBL2029903)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C(N)=O)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C23H30N8O2/c1-28-7-9-30(10-8-28)22(33)19-12-16(14-29(19)2)26-23-25-13-15-11-18(20(24)32)31(21(15)27-23)17-5-3-4-6-17/h11-14,17H,3-10H2,1-2H3,(H2,24,32)(H,25,26,27)
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PC sid
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Article
PubMed
n/an/a 11n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50384175
PNG
(CHEMBL2029903)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C(N)=O)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C23H30N8O2/c1-28-7-9-30(10-8-28)22(33)19-12-16(14-29(19)2)26-23-25-13-15-11-18(20(24)32)31(21(15)27-23)17-5-3-4-6-17/h11-14,17H,3-10H2,1-2H3,(H2,24,32)(H,25,26,27)
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Article
PubMed
n/an/a 28n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50384175
PNG
(CHEMBL2029903)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C(N)=O)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C23H30N8O2/c1-28-7-9-30(10-8-28)22(33)19-12-16(14-29(19)2)26-23-25-13-15-11-18(20(24)32)31(21(15)27-23)17-5-3-4-6-17/h11-14,17H,3-10H2,1-2H3,(H2,24,32)(H,25,26,27)
PDB

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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
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PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 500n/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)

More data for this
Ligand-Target Pair