Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein kinase C theta type' and Ligand = 'BDBM50240302'   

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))	BDBM50240302 (CHEMBL4101327) Show SMILES COc1ccnc2[nH]c(=O)n(-c3nc(ccc3Cl)N3CCNC(C3)c3ccccc3)c12 |(10.07,-36.43,;9.04,-35.28,;7.54,-35.6,;7.06,-37.06,;5.55,-37.38,;4.53,-36.23,;5.01,-34.77,;4.24,-33.45,;5.27,-32.3,;4.95,-30.79,;6.67,-32.93,;8.01,-32.16,;9.34,-32.93,;10.68,-32.16,;10.67,-30.61,;9.34,-29.84,;8.01,-30.62,;6.67,-29.85,;12.02,-32.93,;13.34,-32.15,;14.68,-32.93,;14.68,-34.47,;13.34,-35.24,;12.01,-34.47,;13.34,-36.77,;12,-37.54,;12,-39.08,;13.33,-39.86,;14.67,-39.08,;14.67,-37.54,;6.52,-34.46,)| Show InChI InChI=1S/C22H21ClN6O2/c1-31-17-9-10-25-20-19(17)29(22(30)27-20)21-15(23)7-8-18(26-21)28-12-11-24-16(13-28)14-5-3-2-4-6-14/h2-10,16,24H,11-13H2,1H3,(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	33	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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