Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM36776'   

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))	BDBM36776 (6-(3-chloroanilino)-9-isopropylpurine core C2-subs...) Show SMILES CC(C)N1CNc2c1nc(N[C@H](CO)Cc1ccccc1)nc2Nc1cccc(Cl)c1 |r| Show InChI InChI=1S/C23H27ClN6O/c1-15(2)30-14-25-20-21(26-18-10-6-9-17(24)12-18)28-23(29-22(20)30)27-19(13-31)11-16-7-4-3-5-8-16/h3-10,12,15,19,25,31H,11,13-14H2,1-2H3,(H2,26,27,28,29)/t19-/m0/s1	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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