Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2' and Ligand = 'BDBM50443287'   

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))	BDBM50443287 (CHEMBL5275667) Show SMILES O=C(O[C@H]1C[N+]2(Cc3cc(on3)-c3ccccc3)CCC1CC2)C1(CCCCCC1)C1=CC=CC1 |r,wD:3.2,c:37,t:35,(24.5,-41.5,;24.68,-39.97,;26.09,-39.37,;27.54,-39.87,;27.83,-41.37,;29.31,-41.83,;29.42,-43.36,;30.8,-44.05,;31.06,-45.55,;32.58,-45.77,;33.26,-44.39,;32.16,-43.31,;33.31,-47.13,;32.48,-48.43,;33.19,-49.79,;34.73,-49.85,;35.55,-48.53,;34.83,-47.18,;30.45,-40.87,;30.16,-39.36,;28.71,-38.87,;27.97,-40.21,;29.47,-40.56,;23.44,-39.05,;22.02,-38.44,;21.6,-36.96,;22.49,-35.7,;24.02,-35.64,;25.05,-36.79,;24.79,-38.31,;22.42,-40.2,;20.89,-40.07,;20.29,-41.49,;21.45,-42.51,;22.78,-41.72,)| Show InChI InChI=1S/C30H37N2O3/c33-29(30(25-12-6-7-13-25)16-8-1-2-9-17-30)34-28-22-32(18-14-24(28)15-19-32)21-26-20-27(35-31-26)23-10-4-3-5-11-23/h3-7,10-12,20,24,28H,1-2,8-9,13-19,21-22H2/q+1/t24?,28-,32?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
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