Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-T1/Cyclin-dependent kinase 9' and Ligand = 'BDBM50431287'   

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-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50431287 (CHEMBL2349192) Show SMILES CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(O)CC3)nc12 |(10.04,-28.94,;11.08,-27.8,;12.58,-28.12,;10.6,-26.33,;11.51,-25.08,;10.6,-23.83,;9.13,-24.32,;7.79,-23.55,;7.78,-22.01,;9.12,-21.24,;9.11,-19.71,;10.43,-18.94,;10.41,-17.41,;11.74,-16.64,;9.08,-16.65,;7.76,-17.42,;7.77,-18.96,;6.45,-19.75,;6.47,-24.32,;6.47,-25.86,;5.12,-26.63,;5.12,-28.18,;3.78,-28.95,;3.77,-30.49,;5.11,-31.27,;5.1,-32.81,;6.45,-30.5,;6.46,-28.95,;7.79,-26.63,;9.13,-25.86,)| Show InChI InChI=1S/C21H27ClN6O2/c1-12(2)28-11-24-18-19(23-10-13-9-14(22)3-8-17(13)30)26-21(27-20(18)28)25-15-4-6-16(29)7-5-15/h3,8-9,11-12,15-16,29-30H,4-7,10H2,1-2H3,(H2,23,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair