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 = 'BDBM50330277'   

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))	BDBM50330277 (CHEMBL1271725 | {4-[3-(4-Fluoro-phenyl)-1H-pyrazol...) Show SMILES Fc1ccc(cc1)-c1n[nH]cc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1 Show InChI InChI=1S/C22H21FN8/c23-16-3-1-15(2-4-16)21-18(14-27-30-21)19-7-8-25-22(28-19)29-20-6-5-17(13-26-20)31-11-9-24-10-12-31/h1-8,13-14,24H,9-12H2,(H,27,30)(H,25,26,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay				J Med Chem 53: 7938-57 (2010) Article DOI: 10.1021/jm100571n BindingDB Entry DOI: 10.7270/Q2T72HQV
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