Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2' and Ligand = 'BDBM50130708'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50130708 (CHEMBL3632735) Show SMILES C[C@H]1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21 |r| Show InChI InChI=1S/C17H15ClFN3S/c1-9-2-4-11-14(6-9)23-17-15(11)16(20-8-21-17)22-10-3-5-13(19)12(18)7-10/h3,5,7-9H,2,4,6H2,1H3,(H,20,21,22)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...				Eur J Med Chem 103: 539-50 (2015) Article DOI: 10.1016/j.ejmech.2015.09.008 BindingDB Entry DOI: 10.7270/Q2S184B8
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