BDBM50170646 4-(2-{4-[(E)-3-(4-Chloro-phenyl)-allyl]-piperazin-1-yl}-ethyl)-benzoic acid::CHEMBL189871::CHEMBL2172263

SMILES OC(=O)c1ccc(CCN2CCN(C\C=C\c3ccc(Cl)cc3)CC2)cc1

InChI Key InChIKey=YQIGCNRBMYEJID-UHFFFAOYSA-N

Data  3 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50170646   

Target7-dehydrocholesterol reductase(Human)
Martin-Luther-Universit£T Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50170646(CHEMBL2172263 | CHEMBL189871 | 4-(2-{4-[(E)-3-(4-C...)
Affinity DataIC50: 500nMAssay Description:Inhibition of 7-dehydroxycholesterol reductase-mediated cholesterol biosynthesis in human HL60 cells assessed as inhibition of 2-[13C]acetate after 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50170646(CHEMBL2172263 | CHEMBL189871 | 4-(2-{4-[(E)-3-(4-C...)
Affinity DataKi:  680nMAssay Description:Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetC-8 sterol isomerase ERG2(Baker's yeast)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50170646(CHEMBL2172263 | CHEMBL189871 | 4-(2-{4-[(E)-3-(4-C...)
Affinity DataKi:  1.65E+4nMAssay Description:Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
Target3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50170646(CHEMBL2172263 | CHEMBL189871 | 4-(2-{4-[(E)-3-(4-C...)
Affinity DataKi:  3.40E+4nMAssay Description:Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed