Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-T1/Cyclin-dependent kinase 9' and Ligand = 'BDBM170520'   

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))	BDBM170520 (US9669034, 94 (rac)-4-{2-[(3-Chloro-5-fluorobenzyl...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cc(F)cc(Cl)c2)c1 Show InChI InChI=1S/C24H20ClF2N5O2S/c1-35(28,33)13-15-3-2-4-20(9-15)31-24-30-14-29-23(32-24)21-6-5-18(26)11-22(21)34-12-16-7-17(25)10-19(27)8-16/h2-11,14,28H,12-13H2,1H3,(H,29,30,31,32)	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	3	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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