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SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCC(=O)NCCCCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O

InChI Key: InChIKey=UBIDQBXUAQEXHG-QXDQPINWSA-N

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 = 50491859   
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))
BDBM50491859
PNG
(CHEMBL2387330)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCC(=O)NCCCCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O |r|
Show InChI InChI=1S/C73H85ClFN11O9/c74-53-27-21-50(22-28-53)45-63(82-71(93)64(46-52-47-79-60-18-10-9-17-58(52)60)83-72(94)65-19-12-39-85(65)73(95)59(76)43-49-25-31-57(87)32-26-49)70(92)80-61(69(91)81-62(68(77)90)44-51-23-29-54(75)30-24-51)33-34-66(88)78-38-11-3-8-20-67(89)86(55-15-6-2-7-16-55)56-36-41-84(42-37-56)40-35-48-13-4-1-5-14-48/h1-2,4-7,9-10,13-18,21-32,47,56,59,61-65,79,87H,3,8,11-12,19-20,33-46,76H2,(H2,77,90)(H,78,88)(H,80,92)(H,81,91)(H,82,93)(H,83,94)/t59-,61-,62-,63-,64-,65-/m0/s1
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UniChem
Article
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64n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50491859
PNG
(CHEMBL2387330)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCC(=O)NCCCCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O |r|
Show InChI InChI=1S/C73H85ClFN11O9/c74-53-27-21-50(22-28-53)45-63(82-71(93)64(46-52-47-79-60-18-10-9-17-58(52)60)83-72(94)65-19-12-39-85(65)73(95)59(76)43-49-25-31-57(87)32-26-49)70(92)80-61(69(91)81-62(68(77)90)44-51-23-29-54(75)30-24-51)33-34-66(88)78-38-11-3-8-20-67(89)86(55-15-6-2-7-16-55)56-36-41-84(42-37-56)40-35-48-13-4-1-5-14-48/h1-2,4-7,9-10,13-18,21-32,47,56,59,61-65,79,87H,3,8,11-12,19-20,33-46,76H2,(H2,77,90)(H,78,88)(H,80,92)(H,81,91)(H,82,93)(H,83,94)/t59-,61-,62-,63-,64-,65-/m0/s1
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PC sid
UniChem
Article
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84n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50491859
PNG
(CHEMBL2387330)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCC(=O)NCCCCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O |r|
Show InChI InChI=1S/C73H85ClFN11O9/c74-53-27-21-50(22-28-53)45-63(82-71(93)64(46-52-47-79-60-18-10-9-17-58(52)60)83-72(94)65-19-12-39-85(65)73(95)59(76)43-49-25-31-57(87)32-26-49)70(92)80-61(69(91)81-62(68(77)90)44-51-23-29-54(75)30-24-51)33-34-66(88)78-38-11-3-8-20-67(89)86(55-15-6-2-7-16-55)56-36-41-84(42-37-56)40-35-48-13-4-1-5-14-48/h1-2,4-7,9-10,13-18,21-32,47,56,59,61-65,79,87H,3,8,11-12,19-20,33-46,76H2,(H2,77,90)(H,78,88)(H,80,92)(H,81,91)(H,82,93)(H,83,94)/t59-,61-,62-,63-,64-,65-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 480n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor in guinea pig ileum/longitudinal muscle with myenteric plexus assessed as inhibition of electrically-stimulated musc...


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50491859
PNG
(CHEMBL2387330)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCC(=O)NCCCCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O |r|
Show InChI InChI=1S/C73H85ClFN11O9/c74-53-27-21-50(22-28-53)45-63(82-71(93)64(46-52-47-79-60-18-10-9-17-58(52)60)83-72(94)65-19-12-39-85(65)73(95)59(76)43-49-25-31-57(87)32-26-49)70(92)80-61(69(91)81-62(68(77)90)44-51-23-29-54(75)30-24-51)33-34-66(88)78-38-11-3-8-20-67(89)86(55-15-6-2-7-16-55)56-36-41-84(42-37-56)40-35-48-13-4-1-5-14-48/h1-2,4-7,9-10,13-18,21-32,47,56,59,61-65,79,87H,3,8,11-12,19-20,33-46,76H2,(H2,77,90)(H,78,88)(H,80,92)(H,81,91)(H,82,93)(H,83,94)/t59-,61-,62-,63-,64-,65-/m0/s1
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PC cid
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UniChem
Article
PubMed
n/an/a 510n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair