Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-T1/Cyclin-dependent kinase 9' and Ligand = 'BDBM170506'   

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))	BDBM170506 (US9669034, 86 (rac)-4-(4-Fluoro-2-{[4-(trifluorome...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C25H21F4N5O2S/c1-37(30,35)14-17-3-2-4-20(11-17)33-24-32-15-31-23(34-24)21-10-9-19(26)12-22(21)36-13-16-5-7-18(8-6-16)25(27,28)29/h2-12,15,30H,13-14H2,1H3,(H,31,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	8.0	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9669034 (2017) BindingDB Entry DOI: 10.7270/Q22Z13PG
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