BindingDB logo
myBDB logout

BDBM50280515 2-(3,4-Dichloro-phenyl)-N-methyl-N-((1S,2S)-2-pyrrolidin-1-yl-1,2,3,4-tetrahydro-naphthalen-1-yl)-acetamide; hydrochloride::CHEMBL538806

SMILES: CN([C@@H]1[C@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=RDOAFKQFVDDSKQ-GMAHTHKFSA-N

Data: 4 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 4 hits for monomerid = 50280515   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50280515
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-((1S,2S)-2-pyrr...)
Show SMILES CN([C@@H]1[C@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C23H26Cl2N2O/c1-26(22(28)15-16-8-10-19(24)20(25)14-16)23-18-7-3-2-6-17(18)9-11-21(23)27-12-4-5-13-27/h2-3,6-8,10,14,21,23H,4-5,9,11-13,15H2,1H3/t21-,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 2: 715-720 (1992)


Article DOI: 10.1016/S0960-894X(00)80398-4
BindingDB Entry DOI: 10.7270/Q27P8ZVH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50280515
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-((1S,2S)-2-pyrr...)
Show SMILES CN([C@@H]1[C@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C23H26Cl2N2O/c1-26(22(28)15-16-8-10-19(24)20(25)14-16)23-18-7-3-2-6-17(18)9-11-21(23)27-12-4-5-13-27/h2-3,6-8,10,14,21,23H,4-5,9,11-13,15H2,1H3/t21-,23-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
545n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to mu opioid receptor


Bioorg Med Chem Lett 2: 715-720 (1992)


Article DOI: 10.1016/S0960-894X(00)80398-4
BindingDB Entry DOI: 10.7270/Q27P8ZVH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50280515
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-((1S,2S)-2-pyrr...)
Show SMILES CN([C@@H]1[C@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C23H26Cl2N2O/c1-26(22(28)15-16-8-10-19(24)20(25)14-16)23-18-7-3-2-6-17(18)9-11-21(23)27-12-4-5-13-27/h2-3,6-8,10,14,21,23H,4-5,9,11-13,15H2,1H3/t21-,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to delta opioid receptor


Bioorg Med Chem Lett 2: 715-720 (1992)


Article DOI: 10.1016/S0960-894X(00)80398-4
BindingDB Entry DOI: 10.7270/Q27P8ZVH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50280515
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-((1S,2S)-2-pyrr...)
Show SMILES CN([C@@H]1[C@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C23H26Cl2N2O/c1-26(22(28)15-16-8-10-19(24)20(25)14-16)23-18-7-3-2-6-17(18)9-11-21(23)27-12-4-5-13-27/h2-3,6-8,10,14,21,23H,4-5,9,11-13,15H2,1H3/t21-,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to sigma opioid receptor


Bioorg Med Chem Lett 2: 715-720 (1992)


Article DOI: 10.1016/S0960-894X(00)80398-4
BindingDB Entry DOI: 10.7270/Q27P8ZVH
More data for this
Ligand-Target Pair