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BDBM50252412 (1R,2R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)cyclopentanecarboxamide::CHEMBL509619

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=WAYPCKDSUVRAAV-GJIXZQFMSA-N

Data: 3 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50252412   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50252412
PNG
((1R,2R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C35H40N6O5/c36-27(17-22-13-15-24(42)16-14-22)34(45)39-29-12-6-10-26(29)33(44)41-31(19-23-20-38-28-11-5-4-9-25(23)28)35(46)40-30(32(37)43)18-21-7-2-1-3-8-21/h1-5,7-9,11,13-16,20,26-27,29-31,38,42H,6,10,12,17-19,36H2,(H2,37,43)(H,39,45)(H,40,46)(H,41,44)/t26-,27+,29-,30+,31+/m1/s1
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PC cid
PC sid
UniChem
Article
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16n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain


J Med Chem 51: 4270-9 (2008)


Article DOI: 10.1021/jm800223t
BindingDB Entry DOI: 10.7270/Q2QC038R
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50252412
PNG
((1R,2R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C35H40N6O5/c36-27(17-22-13-15-24(42)16-14-22)34(45)39-29-12-6-10-26(29)33(44)41-31(19-23-20-38-28-11-5-4-9-25(23)28)35(46)40-30(32(37)43)18-21-7-2-1-3-8-21/h1-5,7-9,11,13-16,20,26-27,29-31,38,42H,6,10,12,17-19,36H2,(H2,37,43)(H,39,45)(H,40,46)(H,41,44)/t26-,27+,29-,30+,31+/m1/s1
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124n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]endomorphin-2 from mu opioid receptor in Wistar rat brain


J Med Chem 51: 4270-9 (2008)


Article DOI: 10.1021/jm800223t
BindingDB Entry DOI: 10.7270/Q2QC038R
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50252412
PNG
((1R,2R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C35H40N6O5/c36-27(17-22-13-15-24(42)16-14-22)34(45)39-29-12-6-10-26(29)33(44)41-31(19-23-20-38-28-11-5-4-9-25(23)28)35(46)40-30(32(37)43)18-21-7-2-1-3-8-21/h1-5,7-9,11,13-16,20,26-27,29-31,38,42H,6,10,12,17-19,36H2,(H2,37,43)(H,39,45)(H,40,46)(H,41,44)/t26-,27+,29-,30+,31+/m1/s1
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670n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6deltorphin-2 from delta opioid receptor in Wistar rat brain


J Med Chem 51: 4270-9 (2008)


Article DOI: 10.1021/jm800223t
BindingDB Entry DOI: 10.7270/Q2QC038R
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50252412
PNG
((1R,2R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C35H40N6O5/c36-27(17-22-13-15-24(42)16-14-22)34(45)39-29-12-6-10-26(29)33(44)41-31(19-23-20-38-28-11-5-4-9-25(23)28)35(46)40-30(32(37)43)18-21-7-2-1-3-8-21/h1-5,7-9,11,13-16,20,26-27,29-31,38,42H,6,10,12,17-19,36H2,(H2,37,43)(H,39,45)(H,40,46)(H,41,44)/t26-,27+,29-,30+,31+/m1/s1
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n/an/an/an/a 396n/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Activity at mu opioid receptor in Wistar rat brain assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 51: 4270-9 (2008)


Article DOI: 10.1021/jm800223t
BindingDB Entry DOI: 10.7270/Q2QC038R
More data for this
Ligand-Target Pair