Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-T1/Cyclin-dependent kinase 9' and Ligand = 'BDBM170036'   

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))	BDBM170036 (US9669034, 85 (rac)-4-[4-Fluoro-2-(prop-2-en-1-ylo...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCC=C)c1 Show InChI InChI=1S/C20H20FN5O2S/c1-3-9-28-18-11-15(21)7-8-17(18)19-23-13-24-20(26-19)25-16-6-4-5-14(10-16)12-29(2,22)27/h3-8,10-11,13,22H,1,9,12H2,2H3,(H,23,24,25,26)	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	9	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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