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BDBM50008888 (threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-methyl-pyrrolidin-2-yl)-piperidin-1-yl]-ethanone(HCl)::2-(3,4-Dichloro-phenyl)-1-[2-(1-methyl-pyrrolidin-2-yl)-piperidin-1-yl]-ethanone(HCl)::CHEMBL130272

SMILES: CN1CCCC1C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=UOAOMCIHXQMCHQ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50008888   
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
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008888
PNG
((threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-methyl-pyrr...)
Show SMILES CN1CCCC1C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H24Cl2N2O/c1-21-9-4-6-16(21)17-5-2-3-10-22(17)18(23)12-13-7-8-14(19)15(20)11-13/h7-8,11,16-17H,2-6,9-10,12H2,1H3
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PC sid
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Article
PubMed
0.330n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 in guinea pig brain homogenates


J Med Chem 43: 2124-34 (2000)


Article DOI: 10.1021/jm991161k
BindingDB Entry DOI: 10.7270/Q23N242D
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008888
PNG
((threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-methyl-pyrr...)
Show SMILES CN1CCCC1C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H24Cl2N2O/c1-21-9-4-6-16(21)17-5-2-3-10-22(17)18(23)12-13-7-8-14(19)15(20)11-13/h7-8,11,16-17H,2-6,9-10,12H2,1H3
PDB

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UniChem

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Article
PubMed
0.330n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008888
PNG
((threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-methyl-pyrr...)
Show SMILES CN1CCCC1C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H24Cl2N2O/c1-21-9-4-6-16(21)17-5-2-3-10-22(17)18(23)12-13-7-8-14(19)15(20)11-13/h7-8,11,16-17H,2-6,9-10,12H2,1H3
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12n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008888
PNG
((threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-methyl-pyrr...)
Show SMILES CN1CCCC1C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H24Cl2N2O/c1-21-9-4-6-16(21)17-5-2-3-10-22(17)18(23)12-13-7-8-14(19)15(20)11-13/h7-8,11,16-17H,2-6,9-10,12H2,1H3
UniProtKB/SwissProt

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464n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DAGO from mu opioid receptors in guinea pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008888
PNG
((threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-methyl-pyrr...)
Show SMILES CN1CCCC1C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H24Cl2N2O/c1-21-9-4-6-16(21)17-5-2-3-10-22(17)18(23)12-13-7-8-14(19)15(20)11-13/h7-8,11,16-17H,2-6,9-10,12H2,1H3
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
864n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DAGO from mu opioid receptors in guinea pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50008888
PNG
((threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-methyl-pyrr...)
Show SMILES CN1CCCC1C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H24Cl2N2O/c1-21-9-4-6-16(21)17-5-2-3-10-22(17)18(23)12-13-7-8-14(19)15(20)11-13/h7-8,11,16-17H,2-6,9-10,12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against opioid receptor delta subtype in guinea pig brain (minus cerebellum)using [3H]-DADLE as radio...


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50008888
PNG
((threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-methyl-pyrr...)
Show SMILES CN1CCCC1C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H24Cl2N2O/c1-21-9-4-6-16(21)17-5-2-3-10-22(17)18(23)12-13-7-8-14(19)15(20)11-13/h7-8,11,16-17H,2-6,9-10,12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against opioid receptor delta subtype in guinea pig brain (minus cerebellum) using [3H]-DADLE as radi...


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair