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SMILES: C[C@H]([C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)C(N)Cc1cc(C)c(O)c(C)c1)C(N)=O)c1ccccc1

InChI Key: InChIKey=OLLQFPUUZAQSOA-BPXJKDTOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50339233   
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))
BDBM50339233
PNG
((1S,2R)-N-((S)-1-((2S,3S)-1-amino-1-oxo-3-phenylbu...)
Show SMILES C[C@H]([C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)C(N)Cc1cc(C)c(O)c(C)c1)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C39H48N6O5/c1-22-17-25(18-23(2)35(22)46)19-30(40)38(49)43-32-16-10-8-14-29(32)37(48)44-33(20-27-21-42-31-15-9-7-13-28(27)31)39(50)45-34(36(41)47)24(3)26-11-5-4-6-12-26/h4-7,9,11-13,15,17-18,21,24,29-30,32-34,42,46H,8,10,14,16,19-20,40H2,1-3H3,(H2,41,47)(H,43,49)(H,44,48)(H,45,50)/t24-,29-,30?,32+,33-,34-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.930n/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 rat brain membrane homogenate by liquid scintillation counting


J Med Chem 54: 1462-72 (2011)


Article DOI: 10.1021/jm101515v
BindingDB Entry DOI: 10.7270/Q26T0MX9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50339233
PNG
((1S,2R)-N-((S)-1-((2S,3S)-1-amino-1-oxo-3-phenylbu...)
Show SMILES C[C@H]([C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)C(N)Cc1cc(C)c(O)c(C)c1)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C39H48N6O5/c1-22-17-25(18-23(2)35(22)46)19-30(40)38(49)43-32-16-10-8-14-29(32)37(48)44-33(20-27-21-42-31-15-9-7-13-28(27)31)39(50)45-34(36(41)47)24(3)26-11-5-4-6-12-26/h4-7,9,11-13,15,17-18,21,24,29-30,32-34,42,46H,8,10,14,16,19-20,40H2,1-3H3,(H2,41,47)(H,43,49)(H,44,48)(H,45,50)/t24-,29-,30?,32+,33-,34-/m0/s1
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Article
PubMed
123n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane homogenate by liquid scintillation counting


J Med Chem 54: 1462-72 (2011)


Article DOI: 10.1021/jm101515v
BindingDB Entry DOI: 10.7270/Q26T0MX9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50339233
PNG
((1S,2R)-N-((S)-1-((2S,3S)-1-amino-1-oxo-3-phenylbu...)
Show SMILES C[C@H]([C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)C(N)Cc1cc(C)c(O)c(C)c1)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C39H48N6O5/c1-22-17-25(18-23(2)35(22)46)19-30(40)38(49)43-32-16-10-8-14-29(32)37(48)44-33(20-27-21-42-31-15-9-7-13-28(27)31)39(50)45-34(36(41)47)24(3)26-11-5-4-6-12-26/h4-7,9,11-13,15,17-18,21,24,29-30,32-34,42,46H,8,10,14,16,19-20,40H2,1-3H3,(H2,41,47)(H,43,49)(H,44,48)(H,45,50)/t24-,29-,30?,32+,33-,34-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 22.1n/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in rat brain membrane by [35S]GTPgammaS binding assay


J Med Chem 54: 1462-72 (2011)


Article DOI: 10.1021/jm101515v
BindingDB Entry DOI: 10.7270/Q26T0MX9
More data for this
Ligand-Target Pair