Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 9' and Ligand = 'BDBM50443280'   

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 9 (Homo sapiens (Human))	BDBM50443280 (CHEMBL5273925) Show SMILES O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(CCCCCC1)C1=CC=CC1 |r,wD:3.2,c:34,t:32,(20.55,-9.63,;21.04,-8.17,;22.54,-7.86,;23.86,-8.65,;23.85,-10.18,;25.21,-10.92,;25,-12.45,;26.22,-13.39,;26.01,-14.92,;27.24,-15.86,;27.03,-17.38,;25.61,-17.96,;25.4,-19.49,;26.62,-20.43,;28.06,-19.84,;28.25,-18.31,;26.52,-10.21,;26.54,-8.67,;25.21,-7.89,;24.21,-9.07,;25.61,-9.7,;20,-7.01,;18.58,-6.4,;18.16,-4.92,;19.06,-3.67,;20.59,-3.61,;21.61,-4.75,;21.35,-6.28,;18.99,-8.17,;17.45,-8.04,;16.84,-9.46,;18.01,-10.48,;19.34,-9.69,)| Show InChI InChI=1S/C29H40NO3/c31-28(29(25-11-6-7-12-25)17-8-1-2-9-18-29)33-27-23-30(20-15-24(27)16-21-30)19-10-22-32-26-13-4-3-5-14-26/h3-7,11,13-14,24,27H,1-2,8-10,12,15-23H2/q+1/t24?,27-,30?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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