Compile Data Set for Download or QSAR

Found 1 hit of Enz. Inhib. data with enzyme = 'Cyclin-Dependent Kinase 2 (CDK2) Mutant (L83V/H84D)' and Substrate = 'Histone H1'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cyclin-Dependent Kinase 2 (CDK2) Mutant (L83V/H84D) (Homo sapiens (Human))	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)	PDB MMDB KEGG B.MOAD GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	7.5	30
University of Oxford					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 12.5 uM ATP/ [ga...				J Med Chem 49: 5470-7 (2006) Article DOI: 10.1021/jm060216x BindingDB Entry DOI: 10.7270/Q2TQ5ZS3
					More data for this Ligand-Target Pair				3D Structure (crystal)