BDBM50240306 CHEMBL4084895

SMILES: OC(C1CC1)C1CCCN(C1)c1ccc(F)c(n1)-n1c2cccnc2[nH]c1=O

InChI Key: InChIKey=NPNHGCUWUHBIIE-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50240306   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50240306 (CHEMBL4084895) Show SMILES OC(C1CC1)C1CCCN(C1)c1ccc(F)c(n1)-n1c2cccnc2[nH]c1=O |(32.7,-41.52,;31.37,-40.75,;30.03,-41.51,;28.49,-41.52,;29.26,-42.85,;31.37,-39.21,;32.71,-38.44,;32.71,-36.9,;31.37,-36.12,;30.05,-36.89,;30.04,-38.44,;28.71,-36.12,;28.71,-34.57,;27.37,-33.81,;26.04,-34.58,;24.71,-33.81,;26.04,-36.12,;27.38,-36.89,;24.71,-36.89,;24.55,-38.42,;25.57,-39.56,;25.1,-41.01,;23.59,-41.33,;22.57,-40.19,;23.05,-38.73,;22.28,-37.41,;23.31,-36.26,;22.99,-34.76,)| Show InChI InChI=1S/C20H22FN5O2/c21-14-7-8-16(25-10-2-3-13(11-25)17(27)12-5-6-12)23-19(14)26-15-4-1-9-22-18(15)24-20(26)28/h1,4,7-9,12-13,17,27H,2-3,5-6,10-11H2,(H,22,24,28)	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	>1.00E+3	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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