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BDBM50154034 2-Amino-3-(4-hydroxy-phenyl)-1-[3-(5-methyl-4-propyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-propan-1-one::CHEMBL440380

SMILES: CCCc1nc([nH]c1C)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=SWRXASXLGINNHP-GMAHTHKFSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50154034   
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))
BDBM50154034
PNG
(2-Amino-3-(4-hydroxy-phenyl)-1-[3-(5-methyl-4-prop...)
Show SMILES CCCc1nc([nH]c1C)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C25H30N4O2/c1-3-6-22-16(2)27-24(28-22)23-14-18-7-4-5-8-19(18)15-29(23)25(31)21(26)13-17-9-11-20(30)12-10-17/h4-5,7-12,21,23,30H,3,6,13-15,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1
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PubMed
>100n/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))
BDBM50154034
PNG
(2-Amino-3-(4-hydroxy-phenyl)-1-[3-(5-methyl-4-prop...)
Show SMILES CCCc1nc([nH]c1C)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C25H30N4O2/c1-3-6-22-16(2)27-24(28-22)23-14-18-7-4-5-8-19(18)15-29(23)25(31)21(26)13-17-9-11-20(30)12-10-17/h4-5,7-12,21,23,30H,3,6,13-15,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1
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>100n/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154034
PNG
(2-Amino-3-(4-hydroxy-phenyl)-1-[3-(5-methyl-4-prop...)
Show SMILES CCCc1nc([nH]c1C)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C25H30N4O2/c1-3-6-22-16(2)27-24(28-22)23-14-18-7-4-5-8-19(18)15-29(23)25(31)21(26)13-17-9-11-20(30)12-10-17/h4-5,7-12,21,23,30H,3,6,13-15,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1
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>100n/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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154034
PNG
(2-Amino-3-(4-hydroxy-phenyl)-1-[3-(5-methyl-4-prop...)
Show SMILES CCCc1nc([nH]c1C)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C25H30N4O2/c1-3-6-22-16(2)27-24(28-22)23-14-18-7-4-5-8-19(18)15-29(23)25(31)21(26)13-17-9-11-20(30)12-10-17/h4-5,7-12,21,23,30H,3,6,13-15,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1
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>100n/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
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50154034
PNG
(2-Amino-3-(4-hydroxy-phenyl)-1-[3-(5-methyl-4-prop...)
Show SMILES CCCc1nc([nH]c1C)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C25H30N4O2/c1-3-6-22-16(2)27-24(28-22)23-14-18-7-4-5-8-19(18)15-29(23)25(31)21(26)13-17-9-11-20(30)12-10-17/h4-5,7-12,21,23,30H,3,6,13-15,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1
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PubMed
n/an/an/an/a 85n/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