Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein kinase C theta type' and Ligand = 'BDBM50097498'   

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))	BDBM50097498 (CHEMBL3586039) Show SMILES CCN1CCC[C@@H](CNc2nc(Nc3cc(OC)cc(c3)-n3nnnc3C)ncc2F)C1 |r| Show InChI InChI=1S/C21H28FN9O/c1-4-30-7-5-6-15(13-30)11-23-20-19(22)12-24-21(26-20)25-16-8-17(10-18(9-16)32-3)31-14(2)27-28-29-31/h8-10,12,15H,4-7,11,13H2,1-3H3,(H2,23,24,25,26)/t15-/m0/s1	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	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human full length PKCtheta assessed as fluorescence intensity after 60 mins				Bioorg Med Chem 23: 3269-77 (2015) Article DOI: 10.1016/j.bmc.2015.04.050 BindingDB Entry DOI: 10.7270/Q2HM5B66
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