Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2' and Ligand = 'BDBM50443288'   

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))	BDBM50443288 (CHEMBL5273636) Show SMILES O=C(O[C@H]1C[N+]2(Cc3cc(no3)-c3ccccc3)CCC1CC2)C1(CCCCCC1)C1=CC=CC1 |r,wD:3.2,c:37,t:35,(26.47,-22.94,;26.65,-21.41,;28.06,-20.8,;29.51,-21.31,;29.8,-22.81,;31.28,-23.28,;31.39,-24.81,;32.77,-25.49,;34.14,-24.77,;35.25,-25.84,;34.56,-27.22,;33.04,-27.01,;36.77,-25.58,;37.74,-26.77,;39.26,-26.51,;39.8,-25.06,;38.8,-23.87,;37.29,-24.14,;32.42,-22.31,;32.14,-20.8,;30.68,-20.31,;29.94,-21.66,;31.44,-22,;25.4,-20.48,;23.98,-19.87,;23.56,-18.39,;24.46,-17.14,;25.99,-17.07,;27.01,-18.22,;26.75,-19.74,;24.39,-21.65,;22.86,-21.51,;22.24,-22.93,;23.41,-23.95,;24.74,-23.16,)| 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(31-35-26)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	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
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