Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-T1/Cyclin-dependent kinase 9' and Ligand = 'BDBM168457'   

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))	BDBM168457 (US9669034, 51 (rac)-Ethyl[(3-fluoro-5-{[4-(4-fluor...) Show SMILES CCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1 Show InChI InChI=1S/C21H21F2N5O4S/c1-4-32-21(29)28-33(3,30)11-13-7-15(23)9-16(8-13)26-20-25-12-24-19(27-20)17-6-5-14(22)10-18(17)31-2/h5-10,12H,4,11H2,1-3H3,(H,24,25,26,27)	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	10	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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