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BDBM50149377 1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [1-((S)-naphthalen-1-ylcarbamoyl)-2-phenyl-ethyl]-amide::CHEMBL325702

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc12

InChI Key: InChIKey=ZKUFUBSWAQIBLU-BKHJTQGXSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50149377   
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50149377
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C33H34N4O4/c34-27(20-23-15-17-25(38)18-16-23)33(41)37-19-7-14-30(37)32(40)36-29(21-22-8-2-1-3-9-22)31(39)35-28-13-6-11-24-10-4-5-12-26(24)28/h1-6,8-13,15-18,27,29-30,38H,7,14,19-21,34H2,(H,35,39)(H,36,40)/t27-,29-,30-/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50149377
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C33H34N4O4/c34-27(20-23-15-17-25(38)18-16-23)33(41)37-19-7-14-30(37)32(40)36-29(21-22-8-2-1-3-9-22)31(39)35-28-13-6-11-24-10-4-5-12-26(24)28/h1-6,8-13,15-18,27,29-30,38H,7,14,19-21,34H2,(H,35,39)(H,36,40)/t27-,29-,30-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.64E+3n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain opioid receptor delta 1 using [3H]-DPDPE radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair