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BDBM50021999 CHEMBL3298900

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

InChI Key: InChIKey=FJGBENDAQCPFRL-XUVXKRRUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50021999   
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))		BDBM50021999
PNG
(CHEMBL3298900)
Show SMILES [H][C@@]12CCC[C@H](NCc3ccc(Cl)cc3)[C@@]1([H])NC(=O)C(=O)N2Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H23Cl2N3O2/c23-16-8-4-14(5-9-16)12-25-18-2-1-3-19-20(18)26-21(28)22(29)27(19)13-15-6-10-17(24)11-7-15/h4-11,18-20,25H,1-3,12-13H2,(H,26,28)/t18-,19+,20+/m0/s1
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PC sid
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Similars
Article
PubMed
 543n/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