Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50437242'   

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))	BDBM50437242 (CHEMBL2403095) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccoc2)c2ncn(C3CCCC3)c2n1 |(47.14,-38.08,;45.61,-38.09,;44.84,-39.43,;43.3,-39.44,;42.53,-38.1,;43.28,-36.76,;44.82,-36.76,;40.99,-38.12,;40.2,-36.79,;38.66,-36.8,;37.89,-35.47,;36.34,-35.49,;35.55,-34.16,;34.01,-34.18,;33.23,-32.85,;31.69,-32.88,;30.94,-34.21,;31.72,-35.53,;33.26,-35.52,;29.4,-34.24,;28.49,-33.01,;27.03,-33.5,;27.05,-35.04,;28.52,-35.49,;38.63,-34.13,;38.14,-32.67,;39.37,-31.76,;40.63,-32.64,;42.09,-32.15,;43.35,-33.04,;44.59,-32.11,;44.09,-30.65,;42.54,-30.68,;40.17,-34.11,;40.96,-35.44,)| Show InChI InChI=1S/C26H32N8O/c27-19-6-8-20(9-7-19)31-26-32-24(23-25(33-26)34(16-30-23)21-3-1-2-4-21)29-14-17-5-10-22(28-13-17)18-11-12-35-15-18/h5,10-13,15-16,19-21H,1-4,6-9,14,27H2,(H2,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
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