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SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccn1

InChI Key: InChIKey=SWWWRCZKSOYBSJ-GSDHBNRESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50149398   
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))
BDBM50149398
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccn1
Show InChI InChI=1S/C30H35N5O4/c1-19-15-22(36)16-20(2)23(19)18-24(31)30(39)35-14-8-11-26(35)29(38)33-25(17-21-9-4-3-5-10-21)28(37)34-27-12-6-7-13-32-27/h3-7,9-10,12-13,15-16,24-26,36H,8,11,14,17-18,31H2,1-2H3,(H,33,38)(H,32,34,37)/t24-,25-,26-/m0/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
0.130n/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))
BDBM50149398
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccn1
Show InChI InChI=1S/C30H35N5O4/c1-19-15-22(36)16-20(2)23(19)18-24(31)30(39)35-14-8-11-26(35)29(38)33-25(17-21-9-4-3-5-10-21)28(37)34-27-12-6-7-13-32-27/h3-7,9-10,12-13,15-16,24-26,36H,8,11,14,17-18,31H2,1-2H3,(H,33,38)(H,32,34,37)/t24-,25-,26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
157n/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