Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50437251'   

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))	BDBM50437251 (CHEMBL2403084) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2ccco2)c2ncn(C3CCCC3)c2n1 |(22.79,-49.45,;21.26,-49.45,;20.49,-50.8,;18.95,-50.81,;18.18,-49.47,;18.92,-48.13,;20.47,-48.12,;16.63,-49.48,;15.85,-48.16,;14.3,-48.17,;13.53,-46.84,;11.99,-46.86,;11.2,-45.53,;9.65,-45.54,;8.9,-46.88,;7.36,-46.89,;6.58,-45.58,;7.33,-44.24,;8.87,-44.21,;5.04,-45.6,;4.13,-44.37,;2.67,-44.86,;2.69,-46.4,;4.16,-46.85,;14.27,-45.5,;13.78,-44.04,;15.01,-43.12,;16.28,-44,;17.74,-43.51,;18.99,-44.4,;20.23,-43.48,;19.73,-42.01,;18.19,-42.04,;15.81,-45.48,;16.61,-46.81,)| Show InChI InChI=1S/C27H33N7O/c28-20-11-13-21(14-12-20)31-27-32-25(24-26(33-27)34(17-30-24)22-4-1-2-5-22)29-16-18-7-9-19(10-8-18)23-6-3-15-35-23/h3,6-10,15,17,20-22H,1-2,4-5,11-14,16,28H2,(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	148	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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