Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50105109
Substrate
n/a
Meas. Tech.
ChEMBL_226559 (CHEMBL847756)
IC50
702±n/a nM
Citation
 Poulain, R; Horvath, D; Bonnet, B; Eckhoff, C; Chapelain, B; Bodinier, MC; Déprez, B From hit to lead. Analyzing structure-profile relationships. J Med Chem 44:3391-401 (2001) [PubMed]  Article 
Target
Name:
Sigma non-opioid intracellular receptor 1
Synonyms:
Aging-associated gene 8 protein | OPRS1 | SGMR1_HUMAN | SIG-1R | SIGMAR1 | SR-BP | SR31747-binding protein | SRBP | Sigma 1-type opioid receptor | Sigma opioid receptor | Sigma1R | hSigmaR1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
25124.85
Organism:
Homo sapiens (Human)
Description:
Q99720
Residue:
223
Sequence:
MQWAVGRRWAWAALLLAVAAVLTQVVWLWLGTQSFVFQREEIAQLARQYAGLDHELAFSRLIVELRRLHPGHVLPDEELQWVFVNAGGWMGAMCLLHASLSEYVLLFGTALGSRGHSGRYWAEISDTIISGTFHQWREGTTKSEVFYPGETVVHGPGEATAVEWGPNTWMVEYGRGVIPSTLAFALADTVFSTQDFLTLFYTLRSYARGLRLELTTYLFGQDP
  
Inhibitor
Name:
BDBM50105109
Synonyms:
4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazine-1-carboxylic acid 2-(4-cyano-phenyl)-ethyl ester | CHEMBL326263
Type:
Small organic molecule
Emp. Form.:
C30H31F2N3O2
Mol. Mass.:
503.5828
SMILES:
Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
Structure:
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