Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cyclin-T1/Cyclin-dependent kinase 9' and Ligand = 'BDBM168449'   

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))	BDBM168449 (US9669034, 48 (rac)-[(3-{[4-(4-fluoro-2-methoxyphe...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC#N)c2)n1 Show InChI InChI=1S/C19H17FN6O2S/c1-28-17-9-14(20)6-7-16(17)18-22-12-23-19(26-18)25-15-5-3-4-13(8-15)10-29(2,27)24-11-21/h3-9,12H,10H2,1-2H3,(H,22,23,25,26)	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	7	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))	BDBM168449 (US9669034, 48 (rac)-[(3-{[4-(4-fluoro-2-methoxyphe...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC#N)c2)n1 Show InChI InChI=1S/C19H17FN6O2S/c1-28-17-9-14(20)6-7-16(17)18-22-12-23-19(26-18)25-15-5-3-4-13(8-15)10-29(2,27)24-11-21/h3-9,12H,10H2,1-2H3,(H,22,23,25,26)	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	7	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))	BDBM168449 (US9669034, 48 (rac)-[(3-{[4-(4-fluoro-2-methoxyphe...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC#N)c2)n1 Show InChI InChI=1S/C19H17FN6O2S/c1-28-17-9-14(20)6-7-16(17)18-22-12-23-19(26-18)25-15-5-3-4-13(8-15)10-29(2,27)24-11-21/h3-9,12H,10H2,1-2H3,(H,22,23,25,26)	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	13	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