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BDBM50001106 2-(3,4-Dichloro-phenyl)-1-(4,4-dimethyl-1-pyrrolidin-1-ylmethyl-3,4-dihydro-1H-isoquinolin-2-yl)-ethanone; hydrochloride::CHEMBL554885

SMILES: CC1(C)CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=GTNQJYKMLZNFMJ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50001106   
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))
BDBM50001106
PNG
(2-(3,4-Dichloro-phenyl)-1-(4,4-dimethyl-1-pyrrolid...)
Show SMILES CC1(C)CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H28Cl2N2O/c1-24(2)16-28(23(29)14-17-9-10-20(25)21(26)13-17)22(15-27-11-5-6-12-27)18-7-3-4-8-19(18)24/h3-4,7-10,13,22H,5-6,11-12,14-16H2,1-2H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor kappa


J Med Chem 35: 2970-8 (1992)


Article DOI: 10.1021/jm00094a006
BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001106
PNG
(2-(3,4-Dichloro-phenyl)-1-(4,4-dimethyl-1-pyrrolid...)
Show SMILES CC1(C)CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H28Cl2N2O/c1-24(2)16-28(23(29)14-17-9-10-20(25)21(26)13-17)22(15-27-11-5-6-12-27)18-7-3-4-8-19(18)24/h3-4,7-10,13,22H,5-6,11-12,14-16H2,1-2H3
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
239n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor mu


J Med Chem 35: 2970-8 (1992)


Article DOI: 10.1021/jm00094a006
BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50001106
PNG
(2-(3,4-Dichloro-phenyl)-1-(4,4-dimethyl-1-pyrrolid...)
Show SMILES CC1(C)CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H28Cl2N2O/c1-24(2)16-28(23(29)14-17-9-10-20(25)21(26)13-17)22(15-27-11-5-6-12-27)18-7-3-4-8-19(18)24/h3-4,7-10,13,22H,5-6,11-12,14-16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.01E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor delta


J Med Chem 35: 2970-8 (1992)


Article DOI: 10.1021/jm00094a006
BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair