Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2' and Ligand = 'BDBM50404387'   

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 2 (Homo sapiens (Human))	BDBM50404387 (CHEMBL5287128) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCCCCC1C(O)=O Show InChI InChI=1S/C24H33N5O6S/c1-35-18-10-8-16-9-11-19(15-17(16)14-18)36(33,34)28-20(6-5-12-27-24(25)26)22(30)29-13-4-2-3-7-21(29)23(31)32/h8-11,14-15,20-21,28H,2-7,12-13H2,1H3,(H,31,32)(H4,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as concentration required to incapacitate 50% of the population exposed to t...				Citation and Details
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