Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cyclin-T1/Cyclin-dependent kinase 9' and Ligand = 'BDBM179658'   

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))	BDBM179658 (US9669034, 108 (rac)-N-{3-[(S-ethylsulfonimidoyl)m...) Show SMILES CCS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1 Show InChI InChI=1S/C19H20FN5O2S/c1-3-28(21,26)11-13-5-4-6-15(9-13)24-19-23-12-22-18(25-19)16-8-7-14(20)10-17(16)27-2/h4-10,12,21H,3,11H2,1-2H3,(H,22,23,24,25)	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
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM179658 (US9669034, 108 (rac)-N-{3-[(S-ethylsulfonimidoyl)m...) Show SMILES CCS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1 Show InChI InChI=1S/C19H20FN5O2S/c1-3-28(21,26)11-13-5-4-6-15(9-13)24-19-23-12-22-18(25-19)16-8-7-14(20)10-17(16)27-2/h4-10,12,21H,3,11H2,1-2H3,(H,22,23,24,25)	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
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM179658 (US9669034, 108 (rac)-N-{3-[(S-ethylsulfonimidoyl)m...) Show SMILES CCS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1 Show InChI InChI=1S/C19H20FN5O2S/c1-3-28(21,26)11-13-5-4-6-15(9-13)24-19-23-12-22-18(25-19)16-8-7-14(20)10-17(16)27-2/h4-10,12,21H,3,11H2,1-2H3,(H,22,23,24,25)	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	24	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
					More data for this Ligand-Target Pair