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PubMed code 9871617

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
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
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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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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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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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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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)		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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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)		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
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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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)		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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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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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)		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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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
* indicates data uncertainty>20%