Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-T1/Cyclin-dependent kinase 9' and Ligand = 'BDBM50013446'   

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))	BDBM50013446 (CHEMBL3259863) Show SMILES CCOP(=O)(Cc1cccc(Nc2cc(ncn2)-c2cccc(N)c2)c1)c1ccccc1 Show InChI InChI=1S/C25H25N4O2P/c1-2-31-32(30,23-12-4-3-5-13-23)17-19-8-6-11-22(14-19)29-25-16-24(27-18-28-25)20-9-7-10-21(26)15-20/h3-16,18H,2,17,26H2,1H3,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK9/CycT1 (unknown origin) using TAMRA-Rbtide and ATP as substrate after 1 hr				J Med Chem 57: 3939-65 (2014) Article DOI: 10.1021/jm401742r BindingDB Entry DOI: 10.7270/Q28C9XRB
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