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PDB code 1P2A

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit 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
CDK2/CycE

  (298/298 = 100%)†
(Homo sapiens (Human))		BDBM10122
PNG
(7-[(2-aminoethyl)amino]-9-fluoro-5-(1H-pyrrol-2-yl...)
Show SMILES NCCNc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
Show InChI InChI=1S/C17H15FN4O/c18-10-3-4-12-16-14(17(23)22-12)9(11-2-1-6-20-11)8-13(15(10)16)21-7-5-19/h1-4,6,8,20-21H,5,7,19H2,(H,22,23)
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PC sid
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PDB
Article
PubMed
n/an/a 12n/an/an/an/a7.522



Hoffmann-La Roche Inc



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...

Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00488-8
BindingDB Entry DOI: 10.7270/Q2W37TJG
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