Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein kinase C theta type' and Ligand = 'BDBM50573014'   

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))	BDBM50573014 (CHEMBL4858914) Show SMILES NC(=O)[C@@H]1CC[C@@H](CC1)Nc1cc(NCc2ccccc2C(F)(F)F)ncc1C#N |r,wU:6.9,3.2,(23.15,-9.78,;21.84,-8.98,;21.87,-7.44,;20.49,-9.72,;19.17,-8.92,;17.81,-9.66,;17.79,-11.2,;19.1,-12,;20.45,-11.26,;16.44,-11.94,;16.41,-13.48,;15.06,-14.22,;15.04,-15.76,;13.69,-16.51,;13.66,-18.05,;12.31,-18.79,;12.29,-20.33,;10.94,-21.08,;9.62,-20.29,;9.65,-18.75,;11,-18,;11.02,-16.46,;9.48,-16.46,;10.25,-15.13,;12.37,-15.72,;16.35,-16.56,;17.7,-15.81,;17.73,-14.27,;19.08,-13.53,;20.43,-12.78,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00388 BindingDB Entry DOI: 10.7270/Q22J6GPS
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