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BDBM50001105 2-(3,4-Dichloro-phenyl)-1-(4-methyl-1-pyrrolidin-1-ylmethyl-3,4-dihydro-1H-isoquinolin-2-yl)-ethanone::CHEMBL101396

SMILES: C[C@@H]1CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=HHXMAUKRPCOLOF-XESZBRCGSA-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 = 50001105   
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


(Cavia porcellus (domestic guinea pig))
BDBM50001105
PNG
(2-(3,4-Dichloro-phenyl)-1-(4-methyl-1-pyrrolidin-1...)
Show SMILES C[C@@H]1CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-16-14-27(23(28)13-17-8-9-20(24)21(25)12-17)22(15-26-10-4-5-11-26)19-7-3-2-6-18(16)19/h2-3,6-9,12,16,22H,4-5,10-11,13-15H2,1H3/t16-,22?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.600n/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)


BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50001105
PNG
(2-(3,4-Dichloro-phenyl)-1-(4-methyl-1-pyrrolidin-1...)
Show SMILES C[C@@H]1CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-16-14-27(23(28)13-17-8-9-20(24)21(25)12-17)22(15-26-10-4-5-11-26)19-7-3-2-6-18(16)19/h2-3,6-9,12,16,22H,4-5,10-11,13-15H2,1H3/t16-,22?/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
57n/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)


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


(Homo sapiens (Human))
BDBM50001105
PNG
(2-(3,4-Dichloro-phenyl)-1-(4-methyl-1-pyrrolidin-1...)
Show SMILES C[C@@H]1CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-16-14-27(23(28)13-17-8-9-20(24)21(25)12-17)22(15-26-10-4-5-11-26)19-7-3-2-6-18(16)19/h2-3,6-9,12,16,22H,4-5,10-11,13-15H2,1H3/t16-,22?/m1/s1
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
158n/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)


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