Reaction Details Report a problem with these data
Target
Short transient receptor potential channel 1
Ligand
BDBM50450628
Substrate
n/a
Meas. Tech.
ChEMBL_1742932 (CHEMBL4158682)
IC50
4400±n/a nM
Citation
 Riva, B; Griglio, A; Serafini, M; Cordero-Sanchez, C; Aprile, S; Di Paola, R; Gugliandolo, E; Alansary, D; Biocotino, I; Lim, D; Grosa, G; Galli, U; Niemeyer, B; Sorba, G; Canonico, PL; Cuzzocrea, S; Genazzani, AA; Pirali, T Pyrtriazoles, a Novel Class of Store-Operated Calcium Entry Modulators: Discovery, Biological Profiling, and in Vivo Proof-of-Concept Efficacy in Acute Pancreatitis. J Med Chem 61:9756-9783 (2018) [PubMed]  Article 
Target
Name:
Short transient receptor potential channel 1
Synonyms:
Short transient receptor potential channel 1 | TRP-1 | TRP1 | TRPC1 | TRPC1_HUMAN | Transient receptor protein 1
Type:
PROTEIN
Mol. Mass.:
91225.07
Organism:
Homo sapiens
Description:
ChEMBL_118314
Residue:
793
Sequence:
MMAALYPSTDLSGASSSSLPSSPSSSSPNEVMALKDVREVKEENTLNEKLFLLACDKGDYYMVKKILEENSSGDLNINCVDVLGRNAVTITIENENLDILQLLLDYGCQSADALLVAIDSEVVGAVDILLNHRPKRSSRPTIVKLMERIQNPEYSTTMDVAPVILAAHRNNYEILTMLLKQDVSLPKPHAVGCECTLCSAKNKKDSLRHSRFRLDIYRCLASPALIMLTEEDPILRAFELSADLKELSLVEVEFRNDYEELARQCKMFAKDLLAQARNSRELEVILNHTSSDEPLDKRGLLEERMNLSRLKLAIKYNQKEFVSQSNCQQFLNTVWFGQMSGYRRKPTCKKIMTVLTVGIFWPVLSLCYLIAPKSQFGRIIHTPFMKFIIHGASYFTFLLLLNLYSLVYNEDKKNTMGPALERIDYLLILWIIGMIWSDIKRLWYEGLEDFLEESRNQLSFVMNSLYLATFALKVVAHNKFHDFADRKDWDAFHPTLVAEGLFAFANVLSYLRLFFMYTTSSILGPLQISMGQMLQDFGKFLGMFLLVLFSFTIGLTQLYDKGYTSKEQKDCVGIFCEQQSNDTFHSFIGTCFALFWYIFSLAHVAIFVTRFSYGEELQSFVGAVIVGTYNVVVVIVLTKLLVAMLHKSFQLIANHEDKEWKFARAKLWLSYFDDKCTLPPPFNIIPSPKTICYMISSLSKWICSHTSKGKVKRQNSLKEWRNLKQKRDENYQKVMCCLVHRYLTSMRQKMQSTDQATVENLNELRQDLSKFRNEIRDLLGFRTSKYAMFYPRN
  
Inhibitor
Name:
BDBM50450628
Synonyms:
CHEMBL4172741
Type:
Small organic molecule
Emp. Form.:
C25H22F3N5O4
Mol. Mass.:
513.4685
SMILES:
CCCC(C)OC(=O)c1cnn(c1C(F)(F)F)-c1ccc(cc1)-n1cc(nn1)-c1cccc(c1)C(O)=O
Structure:
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