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BDBM50154042 2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid phenethyl-amide::CHEMBL188558

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccccc1

InChI Key: InChIKey=MEWPEMCLAQRYBC-DQEYMECFSA-N

Data: 2 KI  2 EC50

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 = 50154042   
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))
BDBM50154042
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccccc1
Show InChI InChI=1S/C27H29N3O3/c28-24(16-20-10-12-23(31)13-11-20)27(33)30-18-22-9-5-4-8-21(22)17-25(30)26(32)29-15-14-19-6-2-1-3-7-19/h1-13,24-25,31H,14-18,28H2,(H,29,32)/t24-,25-/m0/s1
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Article
PubMed
5.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154042
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccccc1
Show InChI InChI=1S/C27H29N3O3/c28-24(16-20-10-12-23(31)13-11-20)27(33)30-18-22-9-5-4-8-21(22)17-25(30)26(32)29-15-14-19-6-2-1-3-7-19/h1-13,24-25,31H,14-18,28H2,(H,29,32)/t24-,25-/m0/s1
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PubMed
69n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for Mu opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50154042
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccccc1
Show InChI InChI=1S/C27H29N3O3/c28-24(16-20-10-12-23(31)13-11-20)27(33)30-18-22-9-5-4-8-21(22)17-25(30)26(32)29-15-14-19-6-2-1-3-7-19/h1-13,24-25,31H,14-18,28H2,(H,29,32)/t24-,25-/m0/s1
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n/an/an/an/a 82n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of delta opioid receptor mediated GTPgammaS binding to CHO cell membranes


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50154042
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccccc1
Show InChI InChI=1S/C27H29N3O3/c28-24(16-20-10-12-23(31)13-11-20)27(33)30-18-22-9-5-4-8-21(22)17-25(30)26(32)29-15-14-19-6-2-1-3-7-19/h1-13,24-25,31H,14-18,28H2,(H,29,32)/t24-,25-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.12E+3n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair