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PDB code 3O0G

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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
Cyclin-Dependent Kinase 5 (CDK5)

  (291/292 > 99%)
(Homo sapiens (Human))
BDBM50340888
PNG
((4-amino-2-(4-chlorophenylamino)thiazol-5-yl)(3-ni...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11ClN4O3S/c17-10-4-6-11(7-5-10)19-16-20-15(18)14(25-16)13(22)9-2-1-3-12(8-9)21(23)24/h1-8H,18H2,(H,19,20)
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n/an/a 750n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 5 (CDK5)

  (291/292 > 99%)
(Homo sapiens (Human))
BDBM50340888
PNG
((4-amino-2-(4-chlorophenylamino)thiazol-5-yl)(3-ni...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11ClN4O3S/c17-10-4-6-11(7-5-10)19-16-20-15(18)14(25-16)13(22)9-2-1-3-12(8-9)21(23)24/h1-8H,18H2,(H,19,20)
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KEGG

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MMDB
PDB
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25 using full length tau as substrate by colorimetric ELISA


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output