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BDBM50182952 (S)-2-amino-3-(4-fluorophenyl)-1-((S)-3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one::CHEMBL381793

SMILES: Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(F)cc1

InChI Key: InChIKey=AQWPTEYHBXESRD-DQEYMECFSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50182952   
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))
BDBM50182952
PNG
((S)-2-amino-3-(4-fluorophenyl)-1-((S)-3-(5-methyl-...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C28H27FN4O/c1-18-26(20-7-3-2-4-8-20)32-27(31-18)25-16-21-9-5-6-10-22(21)17-33(25)28(34)24(30)15-19-11-13-23(29)14-12-19/h2-14,24-25H,15-17,30H2,1H3,(H,31,32)/t24-,25-/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
687n/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))
BDBM50182952
PNG
((S)-2-amino-3-(4-fluorophenyl)-1-((S)-3-(5-methyl-...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C28H27FN4O/c1-18-26(20-7-3-2-4-8-20)32-27(31-18)25-16-21-9-5-6-10-22(21)17-33(25)28(34)24(30)15-19-11-13-23(29)14-12-19/h2-14,24-25H,15-17,30H2,1H3,(H,31,32)/t24-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.28E+4n/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