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SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ncccc2c1

InChI Key: InChIKey=NMHRYPDIQPXOOQ-ZXRKZBAXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50149393   
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))
BDBM50149393
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)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C32H33N5O4/c33-26(18-22-10-13-25(38)14-11-22)32(41)37-17-5-9-29(37)31(40)36-28(19-21-6-2-1-3-7-21)30(39)35-24-12-15-27-23(20-24)8-4-16-34-27/h1-4,6-8,10-16,20,26,28-29,38H,5,9,17-19,33H2,(H,35,39)(H,36,40)/t26-,28-,29-/m0/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
73n/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))
BDBM50149393
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)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C32H33N5O4/c33-26(18-22-10-13-25(38)14-11-22)32(41)37-17-5-9-29(37)31(40)36-28(19-21-6-2-1-3-7-21)30(39)35-24-12-15-27-23(20-24)8-4-16-34-27/h1-4,6-8,10-16,20,26,28-29,38H,5,9,17-19,33H2,(H,35,39)(H,36,40)/t26-,28-,29-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.88E+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