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PDB code 2C68

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 2 (CDK2)

  (298/298 = 100%)
(Homo sapiens (Human))
BDBM11444
PNG
(5-(3-bromophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1...)
Show SMILES Brc1cccc(c1)-c1cc(NCc2ccncc2)n2nccc2n1
Show InChI InChI=1S/C18H14BrN5/c19-15-3-1-2-14(10-15)16-11-18(24-17(23-16)6-9-22-24)21-12-13-4-7-20-8-5-13/h1-11,21H,12H2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.80E+3n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK enzyme was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [...


Bioorg Med Chem Lett 16: 1353-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.048
BindingDB Entry DOI: 10.7270/Q2TT4P5C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)

  (298/298 = 100%)
(Homo sapiens (Human))
BDBM11444
PNG
(5-(3-bromophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1...)
Show SMILES Brc1cccc(c1)-c1cc(NCc2ccncc2)n2nccc2n1
Show InChI InChI=1S/C18H14BrN5/c19-15-3-1-2-14(10-15)16-11-18(24-17(23-16)6-9-22-24)21-12-13-4-7-20-8-5-13/h1-11,21H,12H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.80E+3n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...


Bioorg Med Chem Lett 15: 863-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.073
BindingDB Entry DOI: 10.7270/Q2ZK5DWP
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