Reaction Details | |||
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Target | Protein kinase C theta type | ||
Ligand | BDBM50196972 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_453152 (CHEMBL902302) | ||
IC50 | 18±n/a nM | ||
Citation | Cywin, CL; Dahmann, G; Prokopowicz, AS; Young, ER; Magolda, RL; Cardozo, MG; Cogan, DA; Disalvo, D; Ginn, JD; Kashem, MA; Wolak, JP; Homon, CA; Farrell, TM; Grbic, H; Hu, H; Kaplita, PV; Liu, LH; Spero, DM; Jeanfavre, DD; O'Shea, KM; White, DM; Woska, JR; Brown, ML Discovery of potent and selective PKC-theta inhibitors. Bioorg Med Chem Lett17:225-30 (2006) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Protein kinase C theta type | |||
Name: | Protein kinase C theta type | ||
Synonyms: | KPCT_HUMAN | PRKCQ | PRKCT | Protein kinase C theta | Protein kinase C theta type (PRKCQ) | Protein kinase C, PKC; classical/novel | nPKC-theta | ||
Type: | Serine/threonine-protein kinase | ||
Mol. Mass.: | 81878.04 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Full-length human PKC theta (Panvera Catalog No. P2996). | ||
Residue: | 706 | ||
Sequence: |
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BDBM50196972 | |||
n/a | |||
Name | BDBM50196972 | ||
Synonyms: | CHEMBL248183 | N2-(2-(trifluoromethoxy)benzyl)-N4-((4-(aminomethyl)cyclohexyl)methyl)-5-nitropyrimidine-2,4-diamine | ||
Type | Small organic molecule | ||
Emp. Form. | C20H25F3N6O3 | ||
Mol. Mass. | 454.4461 | ||
SMILES | NCC1CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+]([O-])=O)CC1 |(34.71,-3.87,;34.71,-2.33,;33.38,-1.56,;32.04,-2.32,;30.71,-1.56,;30.72,-.02,;29.38,.75,;29.38,2.29,;28.05,3.05,;26.71,2.28,;25.37,3.05,;24.04,2.28,;22.71,3.05,;21.37,2.29,;20.04,3.06,;18.71,2.29,;18.71,.75,;20.05,-.02,;21.38,.75,;22.71,-.01,;22.72,-1.55,;22.7,-3.09,;24.26,-1.56,;21.18,-1.56,;25.38,4.6,;26.7,5.37,;28.04,4.6,;29.38,5.38,;30.71,4.62,;29.37,6.92,;32.04,.76,;33.38,-.02,)| | ||
Structure |