Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein kinase C theta type' and Ligand = 'BDBM50469253'   

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))	BDBM50469253 (CHEMBL4279198) Show SMILES [H][C@@]12C[C@@]3([H])C[C@@](CNc4nc(NCc5ccccc5OCC)ncc4C#N)(C1)C[C@@]([H])(C2)[C@H]3N |r,TLB:5:3:32:6.29.28,THB:34:33:32:6.29.28,34:33:29:1.32.28,34:33:5.6.29:1.32.2,5:6:32:33.3.2,2:1:33.3.5:29,2:3:29:1.32.28| Show InChI InChI=1S/C25H32N6O/c1-2-32-21-6-4-3-5-17(21)13-28-24-29-14-20(12-26)23(31-24)30-15-25-9-16-7-18(10-25)22(27)19(8-16)11-25/h3-6,14,16,18-19,22H,2,7-11,13,15,27H2,1H3,(H2,28,29,30,31)/t16-,18-,19+,22-,25-	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	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human PKCtheta using STK1-biotin as substrate preincubated for 60 mins followed by substrate addition measured ...				Bioorg Med Chem 26: 5499-5509 (2018) Article DOI: 10.1016/j.bmc.2018.09.029 BindingDB Entry DOI: 10.7270/Q2BG2RQT
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