Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein kinase C theta type' and Ligand = 'BDBM50240297'   

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
Protein kinase C theta type (Homo sapiens (Human))	BDBM50240297 (CHEMBL4100381) Show SMILES O=c1[nH]c2ncccc2n1-c1nc(ccc1C#N)N1CCNCC1c1ccccc1 |(4.05,-5.21,;4.37,-6.72,;3.34,-7.86,;4.11,-9.19,;3.63,-10.65,;4.66,-11.8,;6.17,-11.47,;6.64,-10.01,;5.61,-8.88,;5.78,-7.34,;7.11,-6.57,;8.45,-7.34,;9.79,-6.57,;9.78,-5.02,;8.45,-4.26,;7.12,-5.03,;5.78,-4.25,;4.44,-3.48,;11.12,-7.34,;12.45,-6.56,;13.78,-7.34,;13.78,-8.88,;12.45,-9.65,;11.12,-8.88,;9.79,-9.65,;8.46,-8.87,;7.12,-9.64,;7.12,-11.18,;8.46,-11.95,;9.79,-11.18,)| Show InChI InChI=1S/C22H19N7O/c23-13-16-8-9-19(28-12-11-24-14-18(28)15-5-2-1-3-6-15)26-21(16)29-17-7-4-10-25-20(17)27-22(29)30/h1-10,18,24H,11-12,14H2,(H,25,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system using fluorescein-PKC as substrate preincub...				Bioorg Med Chem Lett 27: 2497-2501 (2017) Article DOI: 10.1016/j.bmcl.2017.03.099 BindingDB Entry DOI: 10.7270/Q21G0PCZ
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