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BDBM50060066 2-[3-(4-Hydroxy-phenyl)-2-methylamino-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid::CHEMBL104171

SMILES: CNC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(O)=O

InChI Key: InChIKey=SUAWKRKLWANFFC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50060066   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50060066
PNG
(2-[3-(4-Hydroxy-phenyl)-2-methylamino-propionyl]-1...)
Show SMILES CNC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(O)=O
Show InChI InChI=1S/C20H22N2O4/c1-21-17(10-13-6-8-16(23)9-7-13)19(24)22-12-15-5-3-2-4-14(15)11-18(22)20(25)26/h2-9,17-18,21,23H,10-12H2,1H3,(H,25,26)
PDB

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B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
75n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor delta 1 by displacement of [3H]- DPDPE


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50060066
PNG
(2-[3-(4-Hydroxy-phenyl)-2-methylamino-propionyl]-1...)
Show SMILES CNC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(O)=O
Show InChI InChI=1S/C20H22N2O4/c1-21-17(10-13-6-8-16(23)9-7-13)19(24)22-12-15-5-3-2-4-14(15)11-18(22)20(25)26/h2-9,17-18,21,23H,10-12H2,1H3,(H,25,26)
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.24E+4n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor mu 1 by displacement of [3H]- DAGO


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair