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BDBM50021995 CHEMBL3298899

SMILES: [H][C@@]12CCC[C@H](NCc3ccc(OC)cc3)[C@@]1([H])NC(=O)C(=O)N2Cc1ccc(OC)cc1

InChI Key: InChIKey=AMNQEEATZWWARG-BHDDXSALSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50021995   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50021995
PNG
(CHEMBL3298899)
Show SMILES [H][C@@]12CCC[C@H](NCc3ccc(OC)cc3)[C@@]1([H])NC(=O)C(=O)N2Cc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C24H29N3O4/c1-30-18-10-6-16(7-11-18)14-25-20-4-3-5-21-22(20)26-23(28)24(29)27(21)15-17-8-12-19(31-2)13-9-17/h6-13,20-22,25H,3-5,14-15H2,1-2H3,(H,26,28)/t20-,21+,22+/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
368n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-Pentazocine from sigma1 receptor in guinea pig brain membrane


Bioorg Med Chem 22: 3316-24 (2014)


Article DOI: 10.1016/j.bmc.2014.04.054
BindingDB Entry DOI: 10.7270/Q2DR2X2R
More data for this
Ligand-Target Pair