Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-T1/Cyclin-dependent kinase 9' and Ligand = 'BDBM50454404'   

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))	BDBM50454404 (CHEMBL4209987) Show SMILES CCOc1cc(Cl)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1 Show InChI InChI=1S/C21H19ClN6O3S2/c1-3-31-19-12-14(22)4-9-17(19)18-10-11-23-20(25-18)24-15-5-7-16(8-6-15)33(29,30)28-21-27-26-13(2)32-21/h4-12H,3H2,1-2H3,(H,27,28)(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
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