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Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'davis' and Initial = 'tp'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(GUINEA PIG)
BDBM50069559
PNG
(Biphalin Analogue | CHEMBL2371057)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H60N10O10/c1-31(59-51(71)43(55)25-33-17-21-39(65)22-18-33)49(69)57-29-47(67)61-45(27-37-13-7-11-35-9-3-5-15-41(35)37)53(73)63-64-54(74)46(28-38-14-8-12-36-10-4-6-16-42(36)38)62-48(68)30-58-50(70)32(2)60-52(72)44(56)26-34-19-23-40(66)24-20-34/h3-24,31-32,43-46,65-66H,25-30,55-56H2,1-2H3,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,67)(H,62,68)(H,63,73)(H,64,74)/t31-,32-,43+,44+,45+,46+/m1/s1
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0.790n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards mu opioid receptor in guinea pig brain homogenates using [3H]-CTOP as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50069560
PNG
(Biphalin Analogue | CHEMBL2371080)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)NNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H46F10N10O10/c1-17(61-43(73)25(57)11-19-3-7-21(67)8-4-19)41(71)59-15-29(69)63-27(13-23-31(47)35(51)39(55)36(52)32(23)48)45(75)65-66-46(76)28(14-24-33(49)37(53)40(56)38(54)34(24)50)64-30(70)16-60-42(72)18(2)62-44(74)26(58)12-20-5-9-22(68)10-6-20/h3-10,17-18,25-28,67-68H,11-16,57-58H2,1-2H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,69)(H,64,70)(H,65,75)(H,66,76)/t17-,18-,25+,26+,27+,28+/m1/s1
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0.910n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards mu opioid receptor in guinea pig brain homogenates using [3H]-CTOP as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50069562
PNG
(2-Amino-N-((S)-1-{[((R)-1-{N'-[(R)-2-(2-{(S)-2-[2-...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H]([C@H](C)c1ccccc1)C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C)c1ccccc1
Show InChI InChI=1S/C48H60N10O10/c1-27(33-11-7-5-8-12-33)41(55-39(61)25-51-43(63)29(3)53-45(65)37(49)23-31-15-19-35(59)20-16-31)47(67)57-58-48(68)42(28(2)34-13-9-6-10-14-34)56-40(62)26-52-44(64)30(4)54-46(66)38(50)24-32-17-21-36(60)22-18-32/h5-22,27-30,37-38,41-42,59-60H,23-26,49-50H2,1-4H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,61)(H,56,62)(H,57,67)(H,58,68)/t27-,28-,29-,30-,37+,38+,41+,42+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards mu opioid receptor in guinea pig brain homogenates using [3H]-CTOP as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50069563
PNG
(Biphalin Analogue | CHEMBL2371079)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H60N10O10/c1-31(59-51(71)43(55)25-33-13-19-41(65)20-14-33)49(69)57-29-47(67)61-45(27-35-11-17-37-7-3-5-9-39(37)23-35)53(73)63-64-54(74)46(28-36-12-18-38-8-4-6-10-40(38)24-36)62-48(68)30-58-50(70)32(2)60-52(72)44(56)26-34-15-21-42(66)22-16-34/h3-24,31-32,43-46,65-66H,25-30,55-56H2,1-2H3,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,67)(H,62,68)(H,63,73)(H,64,74)/t31-,32-,43+,44+,45+,46+/m1/s1
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1.70n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards mu opioid receptor in guinea pig brain homogenates using [3H]-CTOP as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50069558
PNG
(2-Amino-N-((S)-1-{[(2-{N'-[2-(2-{(S)-2-[2-amino-3-...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28+,35-,36-,37-,38-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards mu opioid receptor in guinea pig brain homogenates using [3H]-CTOP as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50069561
PNG
(2-Amino-N-((S)-1-{[((S)-1-{N'-[(S)-2-(2-{(S)-2-[2-...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H]([C@@H](C)c1ccccc1)C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C48H60N10O10/c1-27(33-11-7-5-8-12-33)41(55-39(61)25-51-43(63)29(3)53-45(65)37(49)23-31-15-19-35(59)20-16-31)47(67)57-58-48(68)42(28(2)34-13-9-6-10-14-34)56-40(62)26-52-44(64)30(4)54-46(66)38(50)24-32-17-21-36(60)22-18-32/h5-22,27-30,37-38,41-42,59-60H,23-26,49-50H2,1-4H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,61)(H,56,62)(H,57,67)(H,58,68)/t27-,28-,29+,30+,37-,38-,41-,42-/m0/s1
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3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards mu opioid receptor in guinea pig brain homogenates using [3H]-CTOP as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50069558
PNG
(2-Amino-N-((S)-1-{[(2-{N'-[2-(2-{(S)-2-[2-amino-3-...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28+,35-,36-,37-,38-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor delta 1 in guinea pig brain homogenates using [3H]-[p-Cl-Phe]-DPDPE as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50069559
PNG
(Biphalin Analogue | CHEMBL2371057)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H60N10O10/c1-31(59-51(71)43(55)25-33-17-21-39(65)22-18-33)49(69)57-29-47(67)61-45(27-37-13-7-11-35-9-3-5-15-41(35)37)53(73)63-64-54(74)46(28-38-14-8-12-36-10-4-6-16-42(36)38)62-48(68)30-58-50(70)32(2)60-52(72)44(56)26-34-19-23-40(66)24-20-34/h3-24,31-32,43-46,65-66H,25-30,55-56H2,1-2H3,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,67)(H,62,68)(H,63,73)(H,64,74)/t31-,32-,43+,44+,45+,46+/m1/s1
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6.40n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor delta 1 in guinea pig brain homogenates using [3H]-[p-Cl-Phe]-DPDPE as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50069563
PNG
(Biphalin Analogue | CHEMBL2371079)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H60N10O10/c1-31(59-51(71)43(55)25-33-13-19-41(65)20-14-33)49(69)57-29-47(67)61-45(27-35-11-17-37-7-3-5-9-39(37)23-35)53(73)63-64-54(74)46(28-36-12-18-38-8-4-6-10-40(38)24-36)62-48(68)30-58-50(70)32(2)60-52(72)44(56)26-34-15-21-42(66)22-16-34/h3-24,31-32,43-46,65-66H,25-30,55-56H2,1-2H3,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,67)(H,62,68)(H,63,73)(H,64,74)/t31-,32-,43+,44+,45+,46+/m1/s1
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7.40n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor delta 1 in guinea pig brain homogenates using [3H]-[p-Cl-Phe]-DPDPE as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50069560
PNG
(Biphalin Analogue | CHEMBL2371080)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)NNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H46F10N10O10/c1-17(61-43(73)25(57)11-19-3-7-21(67)8-4-19)41(71)59-15-29(69)63-27(13-23-31(47)35(51)39(55)36(52)32(23)48)45(75)65-66-46(76)28(14-24-33(49)37(53)40(56)38(54)34(24)50)64-30(70)16-60-42(72)18(2)62-44(74)26(58)12-20-5-9-22(68)10-6-20/h3-10,17-18,25-28,67-68H,11-16,57-58H2,1-2H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,69)(H,64,70)(H,65,75)(H,66,76)/t17-,18-,25+,26+,27+,28+/m1/s1
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7.80n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor delta 1 in guinea pig brain homogenates using [3H]-[p-Cl-Phe]-DPDPE as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50069561
PNG
(2-Amino-N-((S)-1-{[((S)-1-{N'-[(S)-2-(2-{(S)-2-[2-...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H]([C@@H](C)c1ccccc1)C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C48H60N10O10/c1-27(33-11-7-5-8-12-33)41(55-39(61)25-51-43(63)29(3)53-45(65)37(49)23-31-15-19-35(59)20-16-31)47(67)57-58-48(68)42(28(2)34-13-9-6-10-14-34)56-40(62)26-52-44(64)30(4)54-46(66)38(50)24-32-17-21-36(60)22-18-32/h5-22,27-30,37-38,41-42,59-60H,23-26,49-50H2,1-4H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,61)(H,56,62)(H,57,67)(H,58,68)/t27-,28-,29+,30+,37-,38-,41-,42-/m0/s1
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11n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor delta 1 in guinea pig brain homogenates using [3H]-[p-Cl-Phe]-DPDPE as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50069562
PNG
(2-Amino-N-((S)-1-{[((R)-1-{N'-[(R)-2-(2-{(S)-2-[2-...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H]([C@H](C)c1ccccc1)C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C)c1ccccc1
Show InChI InChI=1S/C48H60N10O10/c1-27(33-11-7-5-8-12-33)41(55-39(61)25-51-43(63)29(3)53-45(65)37(49)23-31-15-19-35(59)20-16-31)47(67)57-58-48(68)42(28(2)34-13-9-6-10-14-34)56-40(62)26-52-44(64)30(4)54-46(66)38(50)24-32-17-21-36(60)22-18-32/h5-22,27-30,37-38,41-42,59-60H,23-26,49-50H2,1-4H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,61)(H,56,62)(H,57,67)(H,58,68)/t27-,28-,29-,30-,37+,38+,41+,42+/m1/s1
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110n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor delta 1 in guinea pig brain homogenates using [3H]-[p-Cl-Phe]-DPDPE as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50069559
PNG
(Biphalin Analogue | CHEMBL2371057)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H60N10O10/c1-31(59-51(71)43(55)25-33-17-21-39(65)22-18-33)49(69)57-29-47(67)61-45(27-37-13-7-11-35-9-3-5-15-41(35)37)53(73)63-64-54(74)46(28-38-14-8-12-36-10-4-6-16-42(36)38)62-48(68)30-58-50(70)32(2)60-52(72)44(56)26-34-19-23-40(66)24-20-34/h3-24,31-32,43-46,65-66H,25-30,55-56H2,1-2H3,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,67)(H,62,68)(H,63,73)(H,64,74)/t31-,32-,43+,44+,45+,46+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory concentration required against biological activity of mu opioid receptor from guinea pig ileum (GPI)


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50069563
PNG
(Biphalin Analogue | CHEMBL2371079)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H60N10O10/c1-31(59-51(71)43(55)25-33-13-19-41(65)20-14-33)49(69)57-29-47(67)61-45(27-35-11-17-37-7-3-5-9-39(37)23-35)53(73)63-64-54(74)46(28-36-12-18-38-8-4-6-10-40(38)24-36)62-48(68)30-58-50(70)32(2)60-52(72)44(56)26-34-15-21-42(66)22-16-34/h3-24,31-32,43-46,65-66H,25-30,55-56H2,1-2H3,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,67)(H,62,68)(H,63,73)(H,64,74)/t31-,32-,43+,44+,45+,46+/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory concentration required against biological activity of mu opioid receptor from guinea pig ileum (GPI)


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50369571
PNG
(CHEMBL1790710)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C33H47N7O9/c1-18(2)13-24(31(47)39-26(17-41)29(35)45)38-32(48)25(15-20-7-5-4-6-8-20)37-27(44)16-36-33(49)28(19(3)42)40-30(46)23(34)14-21-9-11-22(43)12-10-21/h4-12,18-19,23-26,28,41-43H,13-17,34H2,1-3H3,(H2,35,45)(H,36,49)(H,37,44)(H,38,48)(H,39,47)(H,40,46)/t19-,23+,24+,25+,26+,28-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



University of Northern Colorado

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 was evaluated


J Med Chem 43: 2586-90 (2000)


BindingDB Entry DOI: 10.7270/Q2JQ11Q1
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse)-MOUSE)
BDBM50369571
PNG
(CHEMBL1790710)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C33H47N7O9/c1-18(2)13-24(31(47)39-26(17-41)29(35)45)38-32(48)25(15-20-7-5-4-6-8-20)37-27(44)16-36-33(49)28(19(3)42)40-30(46)23(34)14-21-9-11-22(43)12-10-21/h4-12,18-19,23-26,28,41-43H,13-17,34H2,1-3H3,(H2,35,45)(H,36,49)(H,37,44)(H,38,48)(H,39,47)(H,40,46)/t19-,23+,24+,25+,26+,28-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



University of Northern Colorado

Curated by ChEMBL


Assay Description
Opioid receptor activity was evaluated using mouse vas deferens (MVD) assay


J Med Chem 43: 2586-90 (2000)


BindingDB Entry DOI: 10.7270/Q2JQ11Q1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50369572
PNG
(CHEMBL1790709)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O)C(N)=O
Show InChI InChI=1S/C39H57N7O14/c1-19(2)13-25(36(56)45-27(34(41)54)18-59-39-33(53)32(52)31(51)28(17-47)60-39)44-37(57)26(15-21-7-5-4-6-8-21)43-29(50)16-42-38(58)30(20(3)48)46-35(55)24(40)14-22-9-11-23(49)12-10-22/h4-12,19-20,24-28,30-33,39,47-49,51-53H,13-18,40H2,1-3H3,(H2,41,54)(H,42,58)(H,43,50)(H,44,57)(H,45,56)(H,46,55)/t20-,24+,25+,26+,27+,28+,30-,31+,32-,33-,39+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



University of Northern Colorado

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 was evaluated


J Med Chem 43: 2586-90 (2000)


BindingDB Entry DOI: 10.7270/Q2JQ11Q1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50369571
PNG
(CHEMBL1790710)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C33H47N7O9/c1-18(2)13-24(31(47)39-26(17-41)29(35)45)38-32(48)25(15-20-7-5-4-6-8-20)37-27(44)16-36-33(49)28(19(3)42)40-30(46)23(34)14-21-9-11-22(43)12-10-21/h4-12,18-19,23-26,28,41-43H,13-17,34H2,1-3H3,(H2,35,45)(H,36,49)(H,37,44)(H,38,48)(H,39,47)(H,40,46)/t19-,23+,24+,25+,26+,28-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



University of Northern Colorado

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 was evaluated


J Med Chem 43: 2586-90 (2000)


BindingDB Entry DOI: 10.7270/Q2JQ11Q1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50369572
PNG
(CHEMBL1790709)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O)C(N)=O
Show InChI InChI=1S/C39H57N7O14/c1-19(2)13-25(36(56)45-27(34(41)54)18-59-39-33(53)32(52)31(51)28(17-47)60-39)44-37(57)26(15-21-7-5-4-6-8-21)43-29(50)16-42-38(58)30(20(3)48)46-35(55)24(40)14-22-9-11-23(49)12-10-22/h4-12,19-20,24-28,30-33,39,47-49,51-53H,13-18,40H2,1-3H3,(H2,41,54)(H,42,58)(H,43,50)(H,44,57)(H,45,56)(H,46,55)/t20-,24+,25+,26+,27+,28+,30-,31+,32-,33-,39+/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



University of Northern Colorado

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 was evaluated


J Med Chem 43: 2586-90 (2000)


BindingDB Entry DOI: 10.7270/Q2JQ11Q1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50069558
PNG
(2-Amino-N-((S)-1-{[(2-{N'-[2-(2-{(S)-2-[2-amino-3-...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28+,35-,36-,37-,38-/m0/s1
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n/an/a 8.80n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory concentration required against biological activity of mu opioid receptor from guinea pig ileum (GPI)


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50069560
PNG
(Biphalin Analogue | CHEMBL2371080)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)NNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H46F10N10O10/c1-17(61-43(73)25(57)11-19-3-7-21(67)8-4-19)41(71)59-15-29(69)63-27(13-23-31(47)35(51)39(55)36(52)32(23)48)45(75)65-66-46(76)28(14-24-33(49)37(53)40(56)38(54)34(24)50)64-30(70)16-60-42(72)18(2)62-44(74)26(58)12-20-5-9-22(68)10-6-20/h3-10,17-18,25-28,67-68H,11-16,57-58H2,1-2H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,69)(H,64,70)(H,65,75)(H,66,76)/t17-,18-,25+,26+,27+,28+/m1/s1
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n/an/a 8.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory concentration required against biological activity of Opioid receptor delta 1 from mouse vas deferens (MVD)


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50069560
PNG
(Biphalin Analogue | CHEMBL2371080)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)NNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H46F10N10O10/c1-17(61-43(73)25(57)11-19-3-7-21(67)8-4-19)41(71)59-15-29(69)63-27(13-23-31(47)35(51)39(55)36(52)32(23)48)45(75)65-66-46(76)28(14-24-33(49)37(53)40(56)38(54)34(24)50)64-30(70)16-60-42(72)18(2)62-44(74)26(58)12-20-5-9-22(68)10-6-20/h3-10,17-18,25-28,67-68H,11-16,57-58H2,1-2H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,69)(H,64,70)(H,65,75)(H,66,76)/t17-,18-,25+,26+,27+,28+/m1/s1
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n/an/a 8.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory concentration required against biological activity of mu opioid receptor from guinea pig ileum (GPI)


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50069563
PNG
(Biphalin Analogue | CHEMBL2371079)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H60N10O10/c1-31(59-51(71)43(55)25-33-13-19-41(65)20-14-33)49(69)57-29-47(67)61-45(27-35-11-17-37-7-3-5-9-39(37)23-35)53(73)63-64-54(74)46(28-36-12-18-38-8-4-6-10-40(38)24-36)62-48(68)30-58-50(70)32(2)60-52(72)44(56)26-34-15-21-42(66)22-16-34/h3-24,31-32,43-46,65-66H,25-30,55-56H2,1-2H3,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,67)(H,62,68)(H,63,73)(H,64,74)/t31-,32-,43+,44+,45+,46+/m1/s1
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n/an/a 9.30n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory concentration required against biological activity of Opioid receptor delta 1 from mouse vas deferens (MVD)


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50041669
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-3,3,10,14,14...)
Show SMILES CC1NC(=O)C(NC(=O)C(N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)C(NC(=O)C(Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C31H43N5O7S2/c1-17-25(38)34-22(16-18-9-7-6-8-10-18)27(40)36-24(29(42)43)31(4,5)45-44-30(2,3)23(28(41)33-17)35-26(39)21(32)15-19-11-13-20(37)14-12-19/h6-14,17,21-24,29,37,42-43H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)
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n/an/a 12n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced smooth muscle contraction of mouse vas deferens


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50069559
PNG
(Biphalin Analogue | CHEMBL2371057)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H60N10O10/c1-31(59-51(71)43(55)25-33-17-21-39(65)22-18-33)49(69)57-29-47(67)61-45(27-37-13-7-11-35-9-3-5-15-41(35)37)53(73)63-64-54(74)46(28-38-14-8-12-36-10-4-6-16-42(36)38)62-48(68)30-58-50(70)32(2)60-52(72)44(56)26-34-19-23-40(66)24-20-34/h3-24,31-32,43-46,65-66H,25-30,55-56H2,1-2H3,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,67)(H,62,68)(H,63,73)(H,64,74)/t31-,32-,43+,44+,45+,46+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory concentration required against biological activity of Opioid receptor delta 1 from mouse vas deferens (MVD)


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50041669
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-3,3,10,14,14...)
Show SMILES CC1NC(=O)C(NC(=O)C(N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)C(NC(=O)C(Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C31H43N5O7S2/c1-17-25(38)34-22(16-18-9-7-6-8-10-18)27(40)36-24(29(42)43)31(4,5)45-44-30(2,3)23(28(41)33-17)35-26(39)21(32)15-19-11-13-20(37)14-12-19/h6-14,17,21-24,29,37,42-43H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)
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n/an/a 18n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- p-chloro DPDPE binding


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50069562
PNG
(2-Amino-N-((S)-1-{[((R)-1-{N'-[(R)-2-(2-{(S)-2-[2-...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H]([C@H](C)c1ccccc1)C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C)c1ccccc1
Show InChI InChI=1S/C48H60N10O10/c1-27(33-11-7-5-8-12-33)41(55-39(61)25-51-43(63)29(3)53-45(65)37(49)23-31-15-19-35(59)20-16-31)47(67)57-58-48(68)42(28(2)34-13-9-6-10-14-34)56-40(62)26-52-44(64)30(4)54-46(66)38(50)24-32-17-21-36(60)22-18-32/h5-22,27-30,37-38,41-42,59-60H,23-26,49-50H2,1-4H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,61)(H,56,62)(H,57,67)(H,58,68)/t27-,28-,29-,30-,37+,38+,41+,42+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory concentration required against biological activity of mu opioid receptor from guinea pig ileum (GPI)


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50069562
PNG
(2-Amino-N-((S)-1-{[((R)-1-{N'-[(R)-2-(2-{(S)-2-[2-...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H]([C@H](C)c1ccccc1)C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C)c1ccccc1
Show InChI InChI=1S/C48H60N10O10/c1-27(33-11-7-5-8-12-33)41(55-39(61)25-51-43(63)29(3)53-45(65)37(49)23-31-15-19-35(59)20-16-31)47(67)57-58-48(68)42(28(2)34-13-9-6-10-14-34)56-40(62)26-52-44(64)30(4)54-46(66)38(50)24-32-17-21-36(60)22-18-32/h5-22,27-30,37-38,41-42,59-60H,23-26,49-50H2,1-4H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,61)(H,56,62)(H,57,67)(H,58,68)/t27-,28-,29-,30-,37+,38+,41+,42+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory concentration required against biological activity of Opioid receptor delta 1 from mouse vas deferens (MVD)


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50069558
PNG
(2-Amino-N-((S)-1-{[(2-{N'-[2-(2-{(S)-2-[2-amino-3-...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28+,35-,36-,37-,38-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory concentration required against biological activity of Opioid receptor delta 1 from mouse vas deferens (MVD)


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50069561
PNG
(2-Amino-N-((S)-1-{[((S)-1-{N'-[(S)-2-(2-{(S)-2-[2-...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H]([C@@H](C)c1ccccc1)C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C48H60N10O10/c1-27(33-11-7-5-8-12-33)41(55-39(61)25-51-43(63)29(3)53-45(65)37(49)23-31-15-19-35(59)20-16-31)47(67)57-58-48(68)42(28(2)34-13-9-6-10-14-34)56-40(62)26-52-44(64)30(4)54-46(66)38(50)24-32-17-21-36(60)22-18-32/h5-22,27-30,37-38,41-42,59-60H,23-26,49-50H2,1-4H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,61)(H,56,62)(H,57,67)(H,58,68)/t27-,28-,29+,30+,37-,38-,41-,42-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory concentration required against biological activity of mu opioid receptor from guinea pig ileum (GPI)


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50041663
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-10-hydroxyme...)
Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O |r|
Show InChI InChI=1S/C31H43N5O8S2/c1-30(2)23(35-25(39)20(32)14-18-10-12-19(38)13-11-18)28(42)34-22(16-37)27(41)33-21(15-17-8-6-5-7-9-17)26(40)36-24(29(43)44)31(3,4)46-45-30/h5-13,20-24,29,37-38,43-44H,14-16,32H2,1-4H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)/t20-,21-,22-,23+,24+/m0/s1
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n/an/a 42n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- p-chloro DPDPE binding


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50453339
PNG
(CHEMBL2372412)
Show SMILES CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C32H45N5O7S2/c1-6-22-27(40)35-23(17-18-10-8-7-9-11-18)28(41)37-25(30(43)44)32(4,5)46-45-31(2,3)24(29(42)34-22)36-26(39)21(33)16-19-12-14-20(38)15-13-19/h7-15,21-25,30,38,43-44H,6,16-17,33H2,1-5H3,(H,34,42)(H,35,40)(H,36,39)(H,37,41)/t21-,22-,23-,24+,25+/m0/s1
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n/an/a 66n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- p-chloro DPDPE binding


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50453339
PNG
(CHEMBL2372412)
Show SMILES CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C32H45N5O7S2/c1-6-22-27(40)35-23(17-18-10-8-7-9-11-18)28(41)37-25(30(43)44)32(4,5)46-45-31(2,3)24(29(42)34-22)36-26(39)21(33)16-19-12-14-20(38)15-13-19/h7-15,21-25,30,38,43-44H,6,16-17,33H2,1-5H3,(H,34,42)(H,35,40)(H,36,39)(H,37,41)/t21-,22-,23-,24+,25+/m0/s1
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n/an/a 85n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced smooth muscle contraction of mouse vas deferens


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50069561
PNG
(2-Amino-N-((S)-1-{[((S)-1-{N'-[(S)-2-(2-{(S)-2-[2-...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H]([C@@H](C)c1ccccc1)C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C48H60N10O10/c1-27(33-11-7-5-8-12-33)41(55-39(61)25-51-43(63)29(3)53-45(65)37(49)23-31-15-19-35(59)20-16-31)47(67)57-58-48(68)42(28(2)34-13-9-6-10-14-34)56-40(62)26-52-44(64)30(4)54-46(66)38(50)24-32-17-21-36(60)22-18-32/h5-22,27-30,37-38,41-42,59-60H,23-26,49-50H2,1-4H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,61)(H,56,62)(H,57,67)(H,58,68)/t27-,28-,29+,30+,37-,38-,41-,42-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory concentration required against biological activity of Opioid receptor delta 1 from mouse vas deferens (MVD)


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50041663
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-10-hydroxyme...)
Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O |r|
Show InChI InChI=1S/C31H43N5O8S2/c1-30(2)23(35-25(39)20(32)14-18-10-12-19(38)13-11-18)28(42)34-22(16-37)27(41)33-21(15-17-8-6-5-7-9-17)26(40)36-24(29(43)44)31(3,4)46-45-30/h5-13,20-24,29,37-38,43-44H,14-16,32H2,1-4H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)/t20-,21-,22-,23+,24+/m0/s1
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n/an/a 250n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced smooth muscle contraction of mouse vas deferens


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse)-MOUSE)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/a 258n/an/an/an/an/an/a



University of Northern Colorado

Curated by ChEMBL


Assay Description
Opioid receptor activity was evaluated using mouse vas deferens (MVD) assay


J Med Chem 43: 2586-90 (2000)


BindingDB Entry DOI: 10.7270/Q2JQ11Q1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Delta-type opioid receptor


(MOUSE)
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 570n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced smooth muscle contraction of mouse vas deferens


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- p-chloro DPDPE binding


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50041666
PNG
(2-Amino-N-((S)-7-benzyl-4-dihydroxymethyl-10-hydro...)
Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O
Show InChI InChI=1S/C31H43N5O8S2/c1-30(2)23(35-25(39)20(32)14-18-10-12-19(38)13-11-18)28(42)34-22(16-37)27(41)33-21(15-17-8-6-5-7-9-17)26(40)36-24(29(43)44)31(3,4)46-45-30/h5-13,20-24,29,37-38,43-44H,14-16,32H2,1-4H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)/t20-,21-,22+,23+,24+/m0/s1
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n/an/a 760n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced smooth muscle contraction of mouse vas deferens


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50041666
PNG
(2-Amino-N-((S)-7-benzyl-4-dihydroxymethyl-10-hydro...)
Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O
Show InChI InChI=1S/C31H43N5O8S2/c1-30(2)23(35-25(39)20(32)14-18-10-12-19(38)13-11-18)28(42)34-22(16-37)27(41)33-21(15-17-8-6-5-7-9-17)26(40)36-24(29(43)44)31(3,4)46-45-30/h5-13,20-24,29,37-38,43-44H,14-16,32H2,1-4H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)/t20-,21-,22+,23+,24+/m0/s1
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n/an/a 760n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- p-chloro DPDPE binding


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50453339
PNG
(CHEMBL2372412)
Show SMILES CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C32H45N5O7S2/c1-6-22-27(40)35-23(17-18-10-8-7-9-11-18)28(41)37-25(30(43)44)32(4,5)46-45-31(2,3)24(29(42)34-22)36-26(39)21(33)16-19-12-14-20(38)15-13-19/h7-15,21-25,30,38,43-44H,6,16-17,33H2,1-5H3,(H,34,42)(H,35,40)(H,36,39)(H,37,41)/t21-,22-,23-,24+,25+/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced guinea pig ileum longitudal muscle-myenteric plexus


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced guinea pig ileum longitudal muscle-myenteric plexus


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50041669
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-3,3,10,14,14...)
Show SMILES CC1NC(=O)C(NC(=O)C(N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)C(NC(=O)C(Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C31H43N5O7S2/c1-17-25(38)34-22(16-18-9-7-6-8-10-18)27(40)36-24(29(42)43)31(4,5)45-44-30(2,3)23(28(41)33-17)35-26(39)21(32)15-19-11-13-20(37)14-12-19/h6-14,17,21-24,29,37,42-43H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- CTOP binding


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50453339
PNG
(CHEMBL2372412)
Show SMILES CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C32H45N5O7S2/c1-6-22-27(40)35-23(17-18-10-8-7-9-11-18)28(41)37-25(30(43)44)32(4,5)46-45-31(2,3)24(29(42)34-22)36-26(39)21(33)16-19-12-14-20(38)15-13-19/h7-15,21-25,30,38,43-44H,6,16-17,33H2,1-5H3,(H,34,42)(H,35,40)(H,36,39)(H,37,41)/t21-,22-,23-,24+,25+/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- CTOP binding


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50041663
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-10-hydroxyme...)
Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O |r|
Show InChI InChI=1S/C31H43N5O8S2/c1-30(2)23(35-25(39)20(32)14-18-10-12-19(38)13-11-18)28(42)34-22(16-37)27(41)33-21(15-17-8-6-5-7-9-17)26(40)36-24(29(43)44)31(3,4)46-45-30/h5-13,20-24,29,37-38,43-44H,14-16,32H2,1-4H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)/t20-,21-,22-,23+,24+/m0/s1
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n/an/a>2.25E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- CTOP binding


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50041668
PNG
(2-Amino-N-((S)-7-benzyl-4-dihydroxymethyl-10-ethyl...)
Show SMILES CC[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C32H45N5O7S2/c1-6-22-27(40)35-23(17-18-10-8-7-9-11-18)28(41)37-25(30(43)44)32(4,5)46-45-31(2,3)24(29(42)34-22)36-26(39)21(33)16-19-12-14-20(38)15-13-19/h7-15,21-25,30,38,43-44H,6,16-17,33H2,1-5H3,(H,34,42)(H,35,40)(H,36,39)(H,37,41)/t21-,22+,23-,24+,25+/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- p-chloro DPDPE binding


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50041668
PNG
(2-Amino-N-((S)-7-benzyl-4-dihydroxymethyl-10-ethyl...)
Show SMILES CC[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C32H45N5O7S2/c1-6-22-27(40)35-23(17-18-10-8-7-9-11-18)28(41)37-25(30(43)44)32(4,5)46-45-31(2,3)24(29(42)34-22)36-26(39)21(33)16-19-12-14-20(38)15-13-19/h7-15,21-25,30,38,43-44H,6,16-17,33H2,1-5H3,(H,34,42)(H,35,40)(H,36,39)(H,37,41)/t21-,22+,23-,24+,25+/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced guinea pig ileum longitudal muscle-myenteric plexus


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50041668
PNG
(2-Amino-N-((S)-7-benzyl-4-dihydroxymethyl-10-ethyl...)
Show SMILES CC[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C32H45N5O7S2/c1-6-22-27(40)35-23(17-18-10-8-7-9-11-18)28(41)37-25(30(43)44)32(4,5)46-45-31(2,3)24(29(42)34-22)36-26(39)21(33)16-19-12-14-20(38)15-13-19/h7-15,21-25,30,38,43-44H,6,16-17,33H2,1-5H3,(H,34,42)(H,35,40)(H,36,39)(H,37,41)/t21-,22+,23-,24+,25+/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced smooth muscle contraction of mouse vas deferens


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50041665
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-10-ethyl-3,3...)
Show SMILES C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O |r|
Show InChI InChI=1S/C31H43N5O7S2/c1-17-25(38)34-22(16-18-9-7-6-8-10-18)27(40)36-24(29(42)43)31(4,5)45-44-30(2,3)23(28(41)33-17)35-26(39)21(32)15-19-11-13-20(37)14-12-19/h6-14,17,21-24,29,37,42-43H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)/t17-,21+,22+,23-,24-/m1/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced guinea pig ileum longitudal muscle-myenteric plexus


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50041665
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-10-ethyl-3,3...)
Show SMILES C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O |r|
Show InChI InChI=1S/C31H43N5O7S2/c1-17-25(38)34-22(16-18-9-7-6-8-10-18)27(40)36-24(29(42)43)31(4,5)45-44-30(2,3)23(28(41)33-17)35-26(39)21(32)15-19-11-13-20(37)14-12-19/h6-14,17,21-24,29,37,42-43H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)/t17-,21+,22+,23-,24-/m1/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- p-chloro DPDPE binding


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
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