Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50133059'   

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))	BDBM50133059 (17,20,23-trioxa-4,12,14,26-tetraazahexacyclo[24.6....) Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2cccnc32)c2ccccc12 |c:5| Show InChI InChI=1S/C27H26N4O5/c32-26-23-20-16-30(22-6-2-1-4-18(20)22)8-10-34-12-14-36-15-13-35-11-9-31-17-21(24(23)27(33)29-26)19-5-3-7-28-25(19)31/h1-7,16-17H,8-15H2,(H,29,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 1				J Med Chem 46: 4021-31 (2003) Article DOI: 10.1021/jm030115o BindingDB Entry DOI: 10.7270/Q2G44R1D
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