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BDBM50240688 CHEMBL4077803

SMILES: COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CCC(O)C(C)O5)c4c(O)c3C(=O)c12)C(\C)=N\O

InChI Key: InChIKey=VTALQNVQGGYCNR-KVSWJAHQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50240688   
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
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240688
PNG
(CHEMBL4077803)
Show SMILES COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CCC(O)C(C)O5)c4c(O)c3C(=O)c12)C(\C)=N\O
Show InChI InChI=1S/C27H29NO10/c1-11-15(29)7-8-18(37-11)38-17-10-27(34,12(2)28-35)9-14-20(17)26(33)22-21(24(14)31)23(30)13-5-4-6-16(36-3)19(13)25(22)32/h4-6,11,15,17-18,29,31,33-35H,7-10H2,1-3H3/b28-12+
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 6.96E+4n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair