Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50113686   

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))	BDBM50113686 (2-[[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-...) Show SMILES CC(C)[C@H](CO)N(Cc1ccc(F)cc1)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C26H30ClFN6O/c1-16(2)22(14-35)33(13-18-8-10-20(28)11-9-18)26-31-24(30-21-7-5-6-19(27)12-21)23-25(32-26)34(15-29-23)17(3)4/h5-12,15-17,22,35H,13-14H2,1-4H3,(H,30,31,32)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to cyclin-dependent kinase 1 (CDK1)				J Med Chem 45: 2366-78 (2002) BindingDB Entry DOI: 10.7270/Q25B01SB
					More data for this Ligand-Target Pair