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BDBM50182949 (S)-2-amino-3-(4-methoxyphenyl)-1-((S)-3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one::CHEMBL440221

SMILES: COc1ccc(C[C@H](N)C(=O)N2Cc3ccccc3C[C@H]2c2nc(c(C)[nH]2)-c2ccccc2)cc1

InChI Key: InChIKey=MUDAEJKPSDQRAY-UIOOFZCWSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50182949   
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))
BDBM50182949
PNG
((S)-2-amino-3-(4-methoxyphenyl)-1-((S)-3-(5-methyl...)
Show SMILES COc1ccc(C[C@H](N)C(=O)N2Cc3ccccc3C[C@H]2c2nc(c(C)[nH]2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H30N4O2/c1-19-27(21-8-4-3-5-9-21)32-28(31-19)26-17-22-10-6-7-11-23(22)18-33(26)29(34)25(30)16-20-12-14-24(35-2)15-13-20/h3-15,25-26H,16-18,30H2,1-2H3,(H,31,32)/t25-,26-/m0/s1
PDB

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
28n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain


Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50182949
PNG
((S)-2-amino-3-(4-methoxyphenyl)-1-((S)-3-(5-methyl...)
Show SMILES COc1ccc(C[C@H](N)C(=O)N2Cc3ccccc3C[C@H]2c2nc(c(C)[nH]2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H30N4O2/c1-19-27(21-8-4-3-5-9-21)32-28(31-19)26-17-22-10-6-7-11-23(22)18-33(26)29(34)25(30)16-20-12-14-24(35-2)15-13-20/h3-15,25-26H,16-18,30H2,1-2H3,(H,31,32)/t25-,26-/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
179n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain


Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair