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BDBM50000772 CHEMBL70861::[2-(3,4-Dichloro-phenyl)-ethyl]-(3-fluoro-propyl)-(2-pyrrolidin-1-yl-ethyl)-amine

SMILES: FCCCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=FFENYFYUTQOUSD-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50000772   
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))
BDBM50000772
PNG
(CHEMBL70861 | [2-(3,4-Dichloro-phenyl)-ethyl]-(3-f...)
Show SMILES FCCCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H25Cl2FN2/c18-16-5-4-15(14-17(16)19)6-11-22(10-3-7-20)13-12-21-8-1-2-9-21/h4-5,14H,1-3,6-13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000772
PNG
(CHEMBL70861 | [2-(3,4-Dichloro-phenyl)-ethyl]-(3-f...)
Show SMILES FCCCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H25Cl2FN2/c18-16-5-4-15(14-17(16)19)6-11-22(10-3-7-20)13-12-21-8-1-2-9-21/h4-5,14H,1-3,6-13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
5.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50000772
PNG
(CHEMBL70861 | [2-(3,4-Dichloro-phenyl)-ethyl]-(3-f...)
Show SMILES FCCCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H25Cl2FN2/c18-16-5-4-15(14-17(16)19)6-11-22(10-3-7-20)13-12-21-8-1-2-9-21/h4-5,14H,1-3,6-13H2
PDB

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KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
3.11E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 from rat brain, using [3H](-)-sulpiride as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000772
PNG
(CHEMBL70861 | [2-(3,4-Dichloro-phenyl)-ethyl]-(3-f...)
Show SMILES FCCCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H25Cl2FN2/c18-16-5-4-15(14-17(16)19)6-11-22(10-3-7-20)13-12-21-8-1-2-9-21/h4-5,14H,1-3,6-13H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.05E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 from guinea pig brain, using [3H](-)-bremazocine as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50000772
PNG
(CHEMBL70861 | [2-(3,4-Dichloro-phenyl)-ethyl]-(3-f...)
Show SMILES FCCCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H25Cl2FN2/c18-16-5-4-15(14-17(16)19)6-11-22(10-3-7-20)13-12-21-8-1-2-9-21/h4-5,14H,1-3,6-13H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.20E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic cholinergic receptor from rat brain, using [3H]-QNB as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair