Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM36729'   

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-dependent kinase 1 (Homo sapiens (Human))	BDBM36729 (2-(2-hydroxyethylamino)-9-isopropylpurine core C6-...) Show SMILES COc1cccc(Nc2nc(NCCO)nc3N(CNc23)C(C)C)c1 Show InChI InChI=1S/C17H24N6O2/c1-11(2)23-10-19-14-15(20-12-5-4-6-13(9-12)25-3)21-17(18-7-8-24)22-16(14)23/h4-6,9,11,19,24H,7-8,10H2,1-3H3,(H2,18,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of California, Berkeley					Assay Description Inhibition assay using CDK1/cyclin B.				Chem Biol 6: 361-75 (1999) Article DOI: 10.1016/S1074-5521(99)80048-9 BindingDB Entry DOI: 10.7270/Q2HM56TM
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