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BDBM50379508 CHEMBL2012400

SMILES: Cn1cc(Nc2ncc3cnn(C4CCC5(CC5)CC4)c3n2)cc1C(N)=O

InChI Key: InChIKey=DINLHKGZVRGQQO-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 = 50379508   
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
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50379508
PNG
(CHEMBL2012400)
Show SMILES Cn1cc(Nc2ncc3cnn(C4CCC5(CC5)CC4)c3n2)cc1C(N)=O
Show InChI InChI=1S/C19H23N7O/c1-25-11-13(8-15(25)16(20)27)23-18-21-9-12-10-22-26(17(12)24-18)14-2-4-19(5-3-14)6-7-19/h8-11,14H,2-7H2,1H3,(H2,20,27)(H,21,23,24)
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PC sid
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n/an/a 19n/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
Aurora kinase A


(Homo sapiens (Human))
BDBM50379508
PNG
(CHEMBL2012400)
Show SMILES Cn1cc(Nc2ncc3cnn(C4CCC5(CC5)CC4)c3n2)cc1C(N)=O
Show InChI InChI=1S/C19H23N7O/c1-25-11-13(8-15(25)16(20)27)23-18-21-9-12-10-22-26(17(12)24-18)14-2-4-19(5-3-14)6-7-19/h8-11,14H,2-7H2,1H3,(H2,20,27)(H,21,23,24)
PDB
MMDB

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antibodypedia
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CHEMBL
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: 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 B


(Homo sapiens (Human))
BDBM50379508
PNG
(CHEMBL2012400)
Show SMILES Cn1cc(Nc2ncc3cnn(C4CCC5(CC5)CC4)c3n2)cc1C(N)=O
Show InChI InChI=1S/C19H23N7O/c1-25-11-13(8-15(25)16(20)27)23-18-21-9-12-10-22-26(17(12)24-18)14-2-4-19(5-3-14)6-7-19/h8-11,14H,2-7H2,1H3,(H2,20,27)(H,21,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/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