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SMILES: CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O

InChI Key: InChIKey=AZBYBIVLEPNUQU-YXAWXADKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50009189   
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


(GUINEA PIG)
BDBM50009189
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C30H40N6O8/c1-16(2)25(26(32)40)36-30(44)23(15-24(38)39)35-29(43)22(14-18-7-5-4-6-8-18)34-27(41)17(3)33-28(42)21(31)13-19-9-11-20(37)12-10-19/h4-12,16-17,21-23,25,37H,13-15,31H2,1-3H3,(H2,32,40)(H,33,42)(H,34,41)(H,35,43)(H,36,44)(H,38,39)/t17-,21-,22-,23-,25-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 650n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu in guinea pig ileum (GPI)


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009189
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C30H40N6O8/c1-16(2)25(26(32)40)36-30(44)23(15-24(38)39)35-29(43)22(14-18-7-5-4-6-8-18)34-27(41)17(3)33-28(42)21(31)13-19-9-11-20(37)12-10-19/h4-12,16-17,21-23,25,37H,13-15,31H2,1-3H3,(H2,32,40)(H,33,42)(H,34,41)(H,35,43)(H,36,44)(H,38,39)/t17-,21-,22-,23-,25-/m0/s1
PDB

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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 220n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50009189
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C30H40N6O8/c1-16(2)25(26(32)40)36-30(44)23(15-24(38)39)35-29(43)22(14-18-7-5-4-6-8-18)34-27(41)17(3)33-28(42)21(31)13-19-9-11-20(37)12-10-19/h4-12,16-17,21-23,25,37H,13-15,31H2,1-3H3,(H2,32,40)(H,33,42)(H,34,41)(H,35,43)(H,36,44)(H,38,39)/t17-,21-,22-,23-,25-/m0/s1
PDB

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UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
n/an/a 640n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50009189
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C30H40N6O8/c1-16(2)25(26(32)40)36-30(44)23(15-24(38)39)35-29(43)22(14-18-7-5-4-6-8-18)34-27(41)17(3)33-28(42)21(31)13-19-9-11-20(37)12-10-19/h4-12,16-17,21-23,25,37H,13-15,31H2,1-3H3,(H2,32,40)(H,33,42)(H,34,41)(H,35,43)(H,36,44)(H,38,39)/t17-,21-,22-,23-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 99n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


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


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair