Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 9' and Ligand = 'BDBM180859'   

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-dependent kinase 9 (Homo sapiens (Human))	BDBM180859 (US9133171, 64) Show SMILES COCCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1 Show InChI InChI=1S/C23H23F3N4O5S/c1-33-6-7-35-23(31)30-36(3,32)13-14-8-16(25)10-17(9-14)28-22-27-12-19(26)21(29-22)18-5-4-15(24)11-20(18)34-2/h4-5,8-12H,6-7,13H2,1-3H3,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...				US Patent US9133171 (2015) BindingDB Entry DOI: 10.7270/Q2SX6C0W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM180859 (US9133171, 64) Show SMILES COCCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1 Show InChI InChI=1S/C23H23F3N4O5S/c1-33-6-7-35-23(31)30-36(3,32)13-14-8-16(25)10-17(9-14)28-22-27-12-19(26)21(29-22)18-5-4-15(24)11-20(18)34-2/h4-5,8-12H,6-7,13H2,1-3H3,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...				US Patent US9133171 (2015) BindingDB Entry DOI: 10.7270/Q2SX6C0W
					More data for this Ligand-Target Pair