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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 433.5
BDBM50395270

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50395270
PNG
(CHEMBL2163609)
Show SMILES Cc1c(N[C@H]2CCCNC2)nc2ccnn2c1Nc1ccc(cc1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C24H31N7O/c1-16-22(27-20-7-4-13-25-15-20)30-21-12-14-26-31(21)23(16)28-19-10-8-17(9-11-19)24(32)29-18-5-2-3-6-18/h8-12,14,18,20,25,28H,2-7,13,15H2,1H3,(H,27,30)(H,29,32)/t20-/m0/s1
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MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Teijin Pharma Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter


J Med Chem 55: 6700-15 (2012)


Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50395270
PNG
(CHEMBL2163609)
Show SMILES Cc1c(N[C@H]2CCCNC2)nc2ccnn2c1Nc1ccc(cc1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C24H31N7O/c1-16-22(27-20-7-4-13-25-15-20)30-21-12-14-26-31(21)23(16)28-19-10-8-17(9-11-19)24(32)29-18-5-2-3-6-18/h8-12,14,18,20,25,28H,2-7,13,15H2,1H3,(H,27,30)(H,29,32)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+4n/an/an/an/an/an/a



Teijin Pharma Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP by liquid scintillation counter


J Med Chem 55: 6700-15 (2012)


Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX
More data for this
Ligand-Target Pair