Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50212022'   

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))	BDBM50212022 (4-(5-cyano-2-(4-(2-hydroxyethyl)phenylamino)pyrimi...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1C#N Show InChI InChI=1S/C19H17N5O3S/c20-11-15-12-22-19(23-16-5-1-13(2-6-16)9-10-25)24-18(15)14-3-7-17(8-4-14)28(21,26)27/h1-8,12,25H,9-10H2,(H2,21,26,27)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of CDK1 activity				Bioorg Med Chem Lett 17: 3266-70 (2007) Article DOI: 10.1016/j.bmcl.2007.04.021 BindingDB Entry DOI: 10.7270/Q2GQ6XFG
					More data for this Ligand-Target Pair