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SMILES: OC1(CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=PVENUDXTVWGTGJ-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50349862   
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))
BDBM50349862
PNG
(CHEMBL1813586)
Show SMILES OC1(CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H29ClN2O3/c25-20-7-5-19(6-8-20)24(29)11-14-27(15-12-24)13-1-2-16-30-21-9-3-18-4-10-23(28)26-22(18)17-21/h3,5-9,17,29H,1-2,4,10-16H2,(H,26,28)
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Article
PubMed
417n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from guinea pig brain sigma-1 receptor after 90 mins by liquid scintillation counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50349862
PNG
(CHEMBL1813586)
Show SMILES OC1(CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H29ClN2O3/c25-20-7-5-19(6-8-20)24(29)11-14-27(15-12-24)13-1-2-16-30-21-9-3-18-4-10-23(28)26-22(18)17-21/h3,5-9,17,29H,1-2,4,10-16H2,(H,26,28)
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Article
PubMed
1.31E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D4 receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50349862
PNG
(CHEMBL1813586)
Show SMILES OC1(CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H29ClN2O3/c25-20-7-5-19(6-8-20)24(29)11-14-27(15-12-24)13-1-2-16-30-21-9-3-18-4-10-23(28)26-22(18)17-21/h3,5-9,17,29H,1-2,4,10-16H2,(H,26,28)
PDB

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antibodypedia
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PC sid
UniChem

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Article
PubMed
1.54E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D3 receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50349862
PNG
(CHEMBL1813586)
Show SMILES OC1(CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H29ClN2O3/c25-20-7-5-19(6-8-20)24(29)11-14-27(15-12-24)13-1-2-16-30-21-9-3-18-4-10-23(28)26-22(18)17-21/h3,5-9,17,29H,1-2,4,10-16H2,(H,26,28)
PDB

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KEGG

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antibodypedia
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PC sid
UniChem

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Article
PubMed
2.60E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair