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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50035629   
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)
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.370n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 of guinea pig brain membranes using 0.5 nM of [3H]naloxone as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50019647
PNG
(CHEMBL19982 | Naltrexone semicarbazone)
Show SMILES NC(=O)NN=C1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45 |w:4.3,TLB:24:23:8:28.12.11,17:28:8:23.21.22,9:8:28.12.11:23.21.22|
Show InChI InChI=1S/C21H26N4O4/c22-19(27)24-23-13-5-6-21(28)15-9-12-3-4-14(26)17-16(12)20(21,18(13)29-17)7-8-25(15)10-11-1-2-11/h3-4,11,15,18,26,28H,1-2,5-10H2,(H3,22,24,27)/t15?,18-,20?,21+/m0/s1
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0.480n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 of guinea pig brain membranes using 0.5 nM of [3H]naloxone as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50367339
PNG
(CHEMBL1202433)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)NN=C1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45)C(O)=O |r,w:20.20,TLB:33:44:24:37.38.39,25:24:37.38.39:27.28.44,40:39:24:27.28.44|
Show InChI InChI=1S/C36H45N5O7/c1-20(2)16-26(33(44)45)37-32(43)25(17-21-6-4-3-5-7-21)38-34(46)40-39-24-12-13-36(47)28-18-23-10-11-27(42)30-29(23)35(36,31(24)48-30)14-15-41(28)19-22-8-9-22/h3-7,10-11,20,22,25-26,28,31,42,47H,8-9,12-19H2,1-2H3,(H,37,43)(H,44,45)(H2,38,40,46)/t25?,26?,28?,31-,35?,36+/m0/s1
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0.760n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 of guinea pig brain membranes using 0.5 nM of [3H]naloxone as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50367336
PNG
(CHEMBL1202429 | CHEMBL3144356)
Show SMILES Cl.[H][C@@]12[#8]-c3c4c(-[#6][C@@]5([H])[#7](-[#6]-[#6]-6-[#6]-[#6]-6)-[#6]-[#6][C@@]14[C@@]5([#8])[#6]-[#6]\[#6]2=[#7]\[#7]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#8]-[#6])ccc3-[#8] |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C55H82N14O10/c1-6-31(4)43(50(75)78-5)66-47(72)37(15-11-24-61-52(58)59)62-46(71)36(14-10-23-60-51(56)57)63-48(73)38(26-30(2)3)64-49(74)39(27-32-12-8-7-9-13-32)65-53(76)68-67-35-20-21-55(77)41-28-34-18-19-40(70)44-42(34)54(55,45(35)79-44)22-25-69(41)29-33-16-17-33/h7-9,12-13,18-19,30-31,33,36-39,41,43,45,70,77H,6,10-11,14-17,20-29H2,1-5H3,(H,62,71)(H,63,73)(H,64,74)(H,66,72)(H4,56,57,60)(H4,58,59,61)(H2,65,68,76)/t31?,36?,37?,38?,39?,41?,43?,45-,54?,55+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig brain membranes using 1 nM of (-)-[3H]ethylketazocine as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50367336
PNG
(CHEMBL1202429 | CHEMBL3144356)
Show SMILES Cl.[H][C@@]12[#8]-c3c4c(-[#6][C@@]5([H])[#7](-[#6]-[#6]-6-[#6]-[#6]-6)-[#6]-[#6][C@@]14[C@@]5([#8])[#6]-[#6]\[#6]2=[#7]\[#7]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#8]-[#6])ccc3-[#8] |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C55H82N14O10/c1-6-31(4)43(50(75)78-5)66-47(72)37(15-11-24-61-52(58)59)62-46(71)36(14-10-23-60-51(56)57)63-48(73)38(26-30(2)3)64-49(74)39(27-32-12-8-7-9-13-32)65-53(76)68-67-35-20-21-55(77)41-28-34-18-19-40(70)44-42(34)54(55,45(35)79-44)22-25-69(41)29-33-16-17-33/h7-9,12-13,18-19,30-31,33,36-39,41,43,45,70,77H,6,10-11,14-17,20-29H2,1-5H3,(H,62,71)(H,63,73)(H,64,74)(H,66,72)(H4,56,57,60)(H4,58,59,61)(H2,65,68,76)/t31?,36?,37?,38?,39?,41?,43?,45-,54?,55+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 of guinea pig brain membranes using 0.5 nM of [3H]naloxone as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019647
PNG
(CHEMBL19982 | Naltrexone semicarbazone)
Show SMILES NC(=O)NN=C1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45 |w:4.3,TLB:24:23:8:28.12.11,17:28:8:23.21.22,9:8:28.12.11:23.21.22|
Show InChI InChI=1S/C21H26N4O4/c22-19(27)24-23-13-5-6-21(28)15-9-12-3-4-14(26)17-16(12)20(21,18(13)29-17)7-8-25(15)10-11-1-2-11/h3-4,11,15,18,26,28H,1-2,5-10H2,(H3,22,24,27)/t15?,18-,20?,21+/m0/s1
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig brain membranes using 1 nM of (-)-[3H]ethylketazocine as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50367339
PNG
(CHEMBL1202433)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)NN=C1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45)C(O)=O |r,w:20.20,TLB:33:44:24:37.38.39,25:24:37.38.39:27.28.44,40:39:24:27.28.44|
Show InChI InChI=1S/C36H45N5O7/c1-20(2)16-26(33(44)45)37-32(43)25(17-21-6-4-3-5-7-21)38-34(46)40-39-24-12-13-36(47)28-18-23-10-11-27(42)30-29(23)35(36,31(24)48-30)14-15-41(28)19-22-8-9-22/h3-7,10-11,20,22,25-26,28,31,42,47H,8-9,12-19H2,1-2H3,(H,37,43)(H,44,45)(H2,38,40,46)/t25?,26?,28?,31-,35?,36+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig brain membranes using 1 nM of (-)-[3H]ethylketazocine as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50367339
PNG
(CHEMBL1202433)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)NN=C1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45)C(O)=O |r,w:20.20,TLB:33:44:24:37.38.39,25:24:37.38.39:27.28.44,40:39:24:27.28.44|
Show InChI InChI=1S/C36H45N5O7/c1-20(2)16-26(33(44)45)37-32(43)25(17-21-6-4-3-5-7-21)38-34(46)40-39-24-12-13-36(47)28-18-23-10-11-27(42)30-29(23)35(36,31(24)48-30)14-15-41(28)19-22-8-9-22/h3-7,10-11,20,22,25-26,28,31,42,47H,8-9,12-19H2,1-2H3,(H,37,43)(H,44,45)(H2,38,40,46)/t25?,26?,28?,31-,35?,36+/m0/s1
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3.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 of guinea pig brain membranes using 1 nM of [3H]DADLE as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019647
PNG
(CHEMBL19982 | Naltrexone semicarbazone)
Show SMILES NC(=O)NN=C1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45 |w:4.3,TLB:24:23:8:28.12.11,17:28:8:23.21.22,9:8:28.12.11:23.21.22|
Show InChI InChI=1S/C21H26N4O4/c22-19(27)24-23-13-5-6-21(28)15-9-12-3-4-14(26)17-16(12)20(21,18(13)29-17)7-8-25(15)10-11-1-2-11/h3-4,11,15,18,26,28H,1-2,5-10H2,(H3,22,24,27)/t15?,18-,20?,21+/m0/s1
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3.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 of guinea pig brain membranes using 1 nM of [3H]DADLE as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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4.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig brain membranes using 1 nM of (-)-[3H]ethylketazocine as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50367336
PNG
(CHEMBL1202429 | CHEMBL3144356)
Show SMILES Cl.[H][C@@]12[#8]-c3c4c(-[#6][C@@]5([H])[#7](-[#6]-[#6]-6-[#6]-[#6]-6)-[#6]-[#6][C@@]14[C@@]5([#8])[#6]-[#6]\[#6]2=[#7]\[#7]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#8]-[#6])ccc3-[#8] |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C55H82N14O10/c1-6-31(4)43(50(75)78-5)66-47(72)37(15-11-24-61-52(58)59)62-46(71)36(14-10-23-60-51(56)57)63-48(73)38(26-30(2)3)64-49(74)39(27-32-12-8-7-9-13-32)65-53(76)68-67-35-20-21-55(77)41-28-34-18-19-40(70)44-42(34)54(55,45(35)79-44)22-25-69(41)29-33-16-17-33/h7-9,12-13,18-19,30-31,33,36-39,41,43,45,70,77H,6,10-11,14-17,20-29H2,1-5H3,(H,62,71)(H,63,73)(H,64,74)(H,66,72)(H4,56,57,60)(H4,58,59,61)(H2,65,68,76)/t31?,36?,37?,38?,39?,41?,43?,45-,54?,55+/m0/s1
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5.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 of guinea pig brain membranes using 1 nM of [3H]DADLE as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 of guinea pig brain membranes using 1 nM of [3H]DADLE as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50367337
PNG
(CHEMBL1202430)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)NN=C1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1C2(CCN3C)c45)C(O)=O |r,w:20.20,TLB:33:41:24:37.38.39,25:24:37.38.39:27.28.41,40:39:24:27.28.41|
Show InChI InChI=1S/C33H41N5O7/c1-18(2)15-23(30(41)42)34-29(40)22(16-19-7-5-4-6-8-19)35-31(43)37-36-21-11-12-33(44)25-17-20-9-10-24(39)27-26(20)32(33,28(21)45-27)13-14-38(25)3/h4-10,18,22-23,25,28,39,44H,11-17H2,1-3H3,(H,34,40)(H,41,42)(H2,35,37,43)/t22?,23?,25?,28-,32?,33+/m0/s1
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6.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 of guinea pig brain membranes using 1 nM of [3H]DADLE as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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9.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 of guinea pig brain membranes using 1 nM of [3H]DADLE as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50367340
PNG
(CHEMBL1202428 | CHEMBL3144355)
Show SMILES Cl.[H][C@@]12[#8]-c3c4c(-[#6][C@@]5([H])[#7](-[#6])-[#6]-[#6][C@@]14[C@@]5([#8])[#6]-[#6]\[#6]2=[#7]\[#7]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#8]-[#6])ccc3-[#8] |r,THB:11:10:15:7.6.5|
Show InChI InChI=1S/C52H78N14O10/c1-7-29(4)40(47(72)75-6)63-44(69)34(16-12-23-58-49(55)56)59-43(68)33(15-11-22-57-48(53)54)60-45(70)35(25-28(2)3)61-46(71)36(26-30-13-9-8-10-14-30)62-50(73)65-64-32-19-20-52(74)38-27-31-17-18-37(67)41-39(31)51(52,42(32)76-41)21-24-66(38)5/h8-10,13-14,17-18,28-29,33-36,38,40,42,67,74H,7,11-12,15-16,19-27H2,1-6H3,(H,59,68)(H,60,70)(H,61,71)(H,63,69)(H4,53,54,57)(H4,55,56,58)(H2,62,65,73)/t29?,33?,34?,35?,36?,38?,40?,42-,51?,52+/m0/s1
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9.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig brain membranes using 1 nM of (-)-[3H]ethylketazocine as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50367337
PNG
(CHEMBL1202430)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)NN=C1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1C2(CCN3C)c45)C(O)=O |r,w:20.20,TLB:33:41:24:37.38.39,25:24:37.38.39:27.28.41,40:39:24:27.28.41|
Show InChI InChI=1S/C33H41N5O7/c1-18(2)15-23(30(41)42)34-29(40)22(16-19-7-5-4-6-8-19)35-31(43)37-36-21-11-12-33(44)25-17-20-9-10-24(39)27-26(20)32(33,28(21)45-27)13-14-38(25)3/h4-10,18,22-23,25,28,39,44H,11-17H2,1-3H3,(H,34,40)(H,41,42)(H2,35,37,43)/t22?,23?,25?,28-,32?,33+/m0/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 of guinea pig brain membranes using 0.5 nM of [3H]naloxone as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50367338
PNG
(CHEMBL1202432)
Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)CCC4=NNC(N)=O)ccc5O |r,w:17.21,TLB:13:12:1.2.3:9.10.8,THB:0:1:12:9.10.8,7:8:1.2.3:12|
Show InChI InChI=1S/C18H22N4O4/c1-22-7-6-17-13-9-2-3-11(23)14(13)26-15(17)10(20-21-16(19)24)4-5-18(17,25)12(22)8-9/h2-3,12,15,23,25H,4-8H2,1H3,(H3,19,21,24)/t12?,15-,17?,18+/m0/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 of guinea pig brain membranes using 0.5 nM of [3H]naloxone as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50001707
PNG
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |TLB:14:12:8.9.10:1.3.2,THB:13:12:8.9.10:1.3.2|
Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 of guinea pig brain membranes using 0.5 nM of [3H]naloxone as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50367340
PNG
(CHEMBL1202428 | CHEMBL3144355)
Show SMILES Cl.[H][C@@]12[#8]-c3c4c(-[#6][C@@]5([H])[#7](-[#6])-[#6]-[#6][C@@]14[C@@]5([#8])[#6]-[#6]\[#6]2=[#7]\[#7]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#8]-[#6])ccc3-[#8] |r,THB:11:10:15:7.6.5|
Show InChI InChI=1S/C52H78N14O10/c1-7-29(4)40(47(72)75-6)63-44(69)34(16-12-23-58-49(55)56)59-43(68)33(15-11-22-57-48(53)54)60-45(70)35(25-28(2)3)61-46(71)36(26-30-13-9-8-10-14-30)62-50(73)65-64-32-19-20-52(74)38-27-31-17-18-37(67)41-39(31)51(52,42(32)76-41)21-24-66(38)5/h8-10,13-14,17-18,28-29,33-36,38,40,42,67,74H,7,11-12,15-16,19-27H2,1-6H3,(H,59,68)(H,60,70)(H,61,71)(H,63,69)(H4,53,54,57)(H4,55,56,58)(H2,62,65,73)/t29?,33?,34?,35?,36?,38?,40?,42-,51?,52+/m0/s1
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 of guinea pig brain membranes using 0.5 nM of [3H]naloxone as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50367340
PNG
(CHEMBL1202428 | CHEMBL3144355)
Show SMILES Cl.[H][C@@]12[#8]-c3c4c(-[#6][C@@]5([H])[#7](-[#6])-[#6]-[#6][C@@]14[C@@]5([#8])[#6]-[#6]\[#6]2=[#7]\[#7]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#8]-[#6])ccc3-[#8] |r,THB:11:10:15:7.6.5|
Show InChI InChI=1S/C52H78N14O10/c1-7-29(4)40(47(72)75-6)63-44(69)34(16-12-23-58-49(55)56)59-43(68)33(15-11-22-57-48(53)54)60-45(70)35(25-28(2)3)61-46(71)36(26-30-13-9-8-10-14-30)62-50(73)65-64-32-19-20-52(74)38-27-31-17-18-37(67)41-39(31)51(52,42(32)76-41)21-24-66(38)5/h8-10,13-14,17-18,28-29,33-36,38,40,42,67,74H,7,11-12,15-16,19-27H2,1-6H3,(H,59,68)(H,60,70)(H,61,71)(H,63,69)(H4,53,54,57)(H4,55,56,58)(H2,62,65,73)/t29?,33?,34?,35?,36?,38?,40?,42-,51?,52+/m0/s1
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 of guinea pig brain membranes using 1 nM of [3H]DADLE as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50367335
PNG
(CHEMBL1791447)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)OC |r|
Show InChI InChI=1S/C47H74N14O10/c1-6-28(4)39(45(70)71-5)61-42(67)34(15-11-21-54-47(51)52)58-41(66)33(14-10-20-53-46(49)50)59-43(68)35(22-27(2)3)60-44(69)36(24-29-12-8-7-9-13-29)57-38(64)26-55-37(63)25-56-40(65)32(48)23-30-16-18-31(62)19-17-30/h7-9,12-13,16-19,27-28,32-36,39,62H,6,10-11,14-15,20-26,48H2,1-5H3,(H,55,63)(H,56,65)(H,57,64)(H,58,66)(H,59,68)(H,60,69)(H,61,67)(H4,49,50,53)(H4,51,52,54)/t28-,32+,33+,34+,35+,36+,39+/m1/s1
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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig brain membranes using 1 nM of (-)-[3H]ethylketazocine as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50367335
PNG
(CHEMBL1791447)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)OC |r|
Show InChI InChI=1S/C47H74N14O10/c1-6-28(4)39(45(70)71-5)61-42(67)34(15-11-21-54-47(51)52)58-41(66)33(14-10-20-53-46(49)50)59-43(68)35(22-27(2)3)60-44(69)36(24-29-12-8-7-9-13-29)57-38(64)26-55-37(63)25-56-40(65)32(48)23-30-16-18-31(62)19-17-30/h7-9,12-13,16-19,27-28,32-36,39,62H,6,10-11,14-15,20-26,48H2,1-5H3,(H,55,63)(H,56,65)(H,57,64)(H,58,66)(H,59,68)(H,60,69)(H,61,67)(H4,49,50,53)(H4,51,52,54)/t28-,32+,33+,34+,35+,36+,39+/m1/s1
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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 of guinea pig brain membranes using 1 nM of [3H]DADLE as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50367338
PNG
(CHEMBL1202432)
Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)CCC4=NNC(N)=O)ccc5O |r,w:17.21,TLB:13:12:1.2.3:9.10.8,THB:0:1:12:9.10.8,7:8:1.2.3:12|
Show InChI InChI=1S/C18H22N4O4/c1-22-7-6-17-13-9-2-3-11(23)14(13)26-15(17)10(20-21-16(19)24)4-5-18(17,25)12(22)8-9/h2-3,12,15,23,25H,4-8H2,1H3,(H3,19,21,24)/t12?,15-,17?,18+/m0/s1
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69n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 of guinea pig brain membranes using 1 nM of [3H]DADLE as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50367337
PNG
(CHEMBL1202430)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)NN=C1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1C2(CCN3C)c45)C(O)=O |r,w:20.20,TLB:33:41:24:37.38.39,25:24:37.38.39:27.28.41,40:39:24:27.28.41|
Show InChI InChI=1S/C33H41N5O7/c1-18(2)15-23(30(41)42)34-29(40)22(16-19-7-5-4-6-8-19)35-31(43)37-36-21-11-12-33(44)25-17-20-9-10-24(39)27-26(20)32(33,28(21)45-27)13-14-38(25)3/h4-10,18,22-23,25,28,39,44H,11-17H2,1-3H3,(H,34,40)(H,41,42)(H2,35,37,43)/t22?,23?,25?,28-,32?,33+/m0/s1
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96n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig brain membranes using 1 nM of (-)-[3H]ethylketazocine as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001707
PNG
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |TLB:14:12:8.9.10:1.3.2,THB:13:12:8.9.10:1.3.2|
Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
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145n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 of guinea pig brain membranes using 1 nM of [3H]DADLE as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50367338
PNG
(CHEMBL1202432)
Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)CCC4=NNC(N)=O)ccc5O |r,w:17.21,TLB:13:12:1.2.3:9.10.8,THB:0:1:12:9.10.8,7:8:1.2.3:12|
Show InChI InChI=1S/C18H22N4O4/c1-22-7-6-17-13-9-2-3-11(23)14(13)26-15(17)10(20-21-16(19)24)4-5-18(17,25)12(22)8-9/h2-3,12,15,23,25H,4-8H2,1H3,(H3,19,21,24)/t12?,15-,17?,18+/m0/s1
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179n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig brain membranes using 1 nM of (-)-[3H]ethylketazocine as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50367335
PNG
(CHEMBL1791447)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)OC |r|
Show InChI InChI=1S/C47H74N14O10/c1-6-28(4)39(45(70)71-5)61-42(67)34(15-11-21-54-47(51)52)58-41(66)33(14-10-20-53-46(49)50)59-43(68)35(22-27(2)3)60-44(69)36(24-29-12-8-7-9-13-29)57-38(64)26-55-37(63)25-56-40(65)32(48)23-30-16-18-31(62)19-17-30/h7-9,12-13,16-19,27-28,32-36,39,62H,6,10-11,14-15,20-26,48H2,1-5H3,(H,55,63)(H,56,65)(H,57,64)(H,58,66)(H,59,68)(H,60,69)(H,61,67)(H4,49,50,53)(H4,51,52,54)/t28-,32+,33+,34+,35+,36+,39+/m1/s1
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340n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 of guinea pig brain membranes using 0.5 nM of [3H]naloxone as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
PDB

UniProtKB/SwissProt

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MCE
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PubMed
380n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 of guinea pig brain membranes using 0.5 nM of [3H]naloxone as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001707
PNG
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |TLB:14:12:8.9.10:1.3.2,THB:13:12:8.9.10:1.3.2|
Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
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PubMed
725n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig brain membranes using 1 nM of (-)-[3H]ethylketazocine as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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UniProtKB/SwissProt

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig brain membranes using 1 nM of (-)-[3H]ethylketazocine as radioligand


J Med Chem 29: 1222-5 (1987)


BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair