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BDBM50142869 CHEMBL301772::{(4bR,8aS)-4b-[2-(tert-Butoxycarbonylmethyl-methyl-amino)-ethyl]-4b,5,6,7,8,8a-hexahydro-phenanthren-3-yloxy}-acetic acid tert-butyl ester

SMILES: CN(CC[C@]12CCCC[C@H]1C=Cc1ccc(OCC(=O)OC(C)(C)C)cc21)CC(=O)OC(C)(C)C

InChI Key: InChIKey=AEEOMWMYZRPKKH-PZGXJGMVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50142869   
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


(Homo sapiens (Human))
BDBM50142869
PNG
(CHEMBL301772 | {(4bR,8aS)-4b-[2-(tert-Butoxycarbon...)
Show SMILES CN(CC[C@]12CCCC[C@H]1C=Cc1ccc(OCC(=O)OC(C)(C)C)cc21)CC(=O)OC(C)(C)C
Show InChI InChI=1S/C29H43NO5/c1-27(2,3)34-25(31)19-30(7)17-16-29-15-9-8-10-22(29)13-11-21-12-14-23(18-24(21)29)33-20-26(32)35-28(4,5)6/h11-14,18,22H,8-10,15-17,19-20H2,1-7H3/t22-,29+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
115n/an/an/an/an/an/an/an/a



UCB Research, Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-pentazocine binding to Sigma receptor type 1


Bioorg Med Chem Lett 14: 1807-9 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.105
BindingDB Entry DOI: 10.7270/Q2Z3206S
More data for this
Ligand-Target Pair