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3 similar compounds to monomer 50375695

Compile data set for download or QSAR
Wt: 777.9
BDBM50172015
Wt: 776.9
BDBM50172017
Wt: 719.8
BDBM50207194

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50172015,50172017,50207194   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50207194
PNG
(CHEMBL232812 | benzyl (S)-6-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H49N5O6/c1-28-21-34(48)22-29(2)35(28)24-36(43)41(51)47-26-33-18-10-9-17-32(33)23-38(47)40(50)44-20-12-11-19-37(39(49)45-25-30-13-5-3-6-14-30)46-42(52)53-27-31-15-7-4-8-16-31/h3-10,13-18,21-22,36-38,48H,11-12,19-20,23-27,43H2,1-2H3,(H,44,50)(H,45,49)(H,46,52)/t36-,37-,38-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50207194
PNG
(CHEMBL232812 | benzyl (S)-6-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H49N5O6/c1-28-21-34(48)22-29(2)35(28)24-36(43)41(51)47-26-33-18-10-9-17-32(33)23-38(47)40(50)44-20-12-11-19-37(39(49)45-25-30-13-5-3-6-14-30)46-42(52)53-27-31-15-7-4-8-16-31/h3-10,13-18,21-22,36-38,48H,11-12,19-20,23-27,43H2,1-2H3,(H,44,50)(H,45,49)(H,46,52)/t36-,37-,38-/m0/s1
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3.15n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50172017
PNG
(CHEMBL3143756 | {(S)-5-[(S)-2-({2-[2-Amino-3-(4-hy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H52N6O7/c1-28-21-34(51)22-29(2)35(28)25-36(45)43(55)50-26-33-18-10-9-17-32(33)24-39(50)42(54)49-38(23-30-13-5-3-6-14-30)41(53)48-37(40(46)52)19-11-12-20-47-44(56)57-27-31-15-7-4-8-16-31/h3-10,13-18,21-22,36-39,51H,11-12,19-20,23-27,45H2,1-2H3,(H2,46,52)(H,47,56)(H,48,53)(H,49,54)/t36?,37-,38-,39?/m0/s1
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n/an/a 1.89E+3n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity against mu opioid receptor of guinea pig ileum


J Med Chem 48: 5608-11 (2005)


Article DOI: 10.1021/jm0504959
BindingDB Entry DOI: 10.7270/Q2222T9N
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50207194
PNG
(CHEMBL232812 | benzyl (S)-6-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H49N5O6/c1-28-21-34(48)22-29(2)35(28)24-36(43)41(51)47-26-33-18-10-9-17-32(33)23-38(47)40(50)44-20-12-11-19-37(39(49)45-25-30-13-5-3-6-14-30)46-42(52)53-27-31-15-7-4-8-16-31/h3-10,13-18,21-22,36-38,48H,11-12,19-20,23-27,43H2,1-2H3,(H,44,50)(H,45,49)(H,46,52)/t36-,37-,38-/m0/s1
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n/an/a 1.45E+3n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50172015
PNG
((S)-2-[(S)-2-({2-[2-Amino-3-(4-hydroxy-2,6-dimethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C44H51N5O8/c1-28-21-34(50)22-29(2)35(28)25-36(45)42(53)49-26-33-18-10-9-17-32(33)24-39(49)41(52)48-38(23-30-13-5-3-6-14-30)40(51)47-37(43(54)55)19-11-12-20-46-44(56)57-27-31-15-7-4-8-16-31/h3-10,13-18,21-22,36-39,50H,11-12,19-20,23-27,45H2,1-2H3,(H,46,56)(H,47,51)(H,48,52)(H,54,55)/t36?,37-,38-,39?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonistic activity against delta opioid receptor of mouse vas deferens assay


J Med Chem 48: 5608-11 (2005)


Article DOI: 10.1021/jm0504959
BindingDB Entry DOI: 10.7270/Q2222T9N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50172017
PNG
(CHEMBL3143756 | {(S)-5-[(S)-2-({2-[2-Amino-3-(4-hy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H52N6O7/c1-28-21-34(51)22-29(2)35(28)25-36(45)43(55)50-26-33-18-10-9-17-32(33)24-39(50)42(54)49-38(23-30-13-5-3-6-14-30)41(53)48-37(40(46)52)19-11-12-20-47-44(56)57-27-31-15-7-4-8-16-31/h3-10,13-18,21-22,36-39,51H,11-12,19-20,23-27,45H2,1-2H3,(H2,46,52)(H,47,56)(H,48,53)(H,49,54)/t36?,37-,38-,39?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonistic activity against delta opioid receptor of mouse vas deferens assay


J Med Chem 48: 5608-11 (2005)


Article DOI: 10.1021/jm0504959
BindingDB Entry DOI: 10.7270/Q2222T9N
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50172015
PNG
((S)-2-[(S)-2-({2-[2-Amino-3-(4-hydroxy-2,6-dimethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C44H51N5O8/c1-28-21-34(50)22-29(2)35(28)25-36(45)42(53)49-26-33-18-10-9-17-32(33)24-39(49)41(52)48-38(23-30-13-5-3-6-14-30)40(51)47-37(43(54)55)19-11-12-20-46-44(56)57-27-31-15-7-4-8-16-31/h3-10,13-18,21-22,36-39,50H,11-12,19-20,23-27,45H2,1-2H3,(H,46,56)(H,47,51)(H,48,52)(H,54,55)/t36?,37-,38-,39?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity against mu opioid receptor of guinea pig ileum


J Med Chem 48: 5608-11 (2005)


Article DOI: 10.1021/jm0504959
BindingDB Entry DOI: 10.7270/Q2222T9N
More data for this
Ligand-Target Pair