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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50002334   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021498
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:49:48:32:53.36.35,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C44H54N4O8/c49-29-7-5-25-19-31-43(53)13-11-27(39-41(43,35(25)37(29)55-39)15-17-47(31)21-23-1-2-23)45-33(51)9-10-34(52)46-28-12-14-44(54)32-20-26-6-8-30(50)38-36(26)42(44,40(28)56-38)16-18-48(32)22-24-3-4-24/h5-8,23-24,27-28,31-32,39-40,49-50,53-54H,1-4,9-22H2,(H,45,51)(H,46,52)/t27-,28-,31?,32?,39+,40+,41?,42?,43-,44-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50021500
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(13R,14R,1...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(C)=O)ccc3O |r,THB:10:9:4.5.6:17|
Show InChI InChI=1S/C22H28N2O4/c1-12(25)23-15-6-7-22(27)17-10-14-4-5-16(26)19-18(14)21(22,20(15)28-19)8-9-24(17)11-13-2-3-13/h4-5,13,15,17,20,26-27H,2-3,6-11H2,1H3,(H,23,25)/t15-,17-,20+,21+,22-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50021495
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:65:64:48:69.52.51,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C52H66N8O12/c61-33-7-5-29-19-35-51(69)13-11-31(47-49(51,43(29)45(33)71-47)15-17-59(35)25-27-1-2-27)57-41(67)23-55-39(65)21-53-37(63)9-10-38(64)54-22-40(66)56-24-42(68)58-32-12-14-52(70)36-20-30-6-8-34(62)46-44(30)50(52,48(32)72-46)16-18-60(36)26-28-3-4-28/h5-8,27-28,31-32,35-36,47-48,61-62,69-70H,1-4,9-26H2,(H,53,63)(H,54,64)(H,55,65)(H,56,66)(H,57,67)(H,58,68)/t31-,32-,35?,36?,47+,48+,49?,50?,51-,52-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50021493
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:73:72:56:77.60.59,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C56H72N10O14/c67-35-7-5-31-19-37-55(77)13-11-33(51-53(55,47(31)49(35)79-51)15-17-65(37)27-29-1-2-29)63-45(75)25-61-43(73)23-59-41(71)21-57-39(69)9-10-40(70)58-22-42(72)60-24-44(74)62-26-46(76)64-34-12-14-56(78)38-20-32-6-8-36(68)50-48(32)54(56,52(34)80-50)16-18-66(38)28-30-3-4-30/h5-8,29-30,33-34,37-38,51-52,67-68,77-78H,1-4,9-28H2,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t33-,34-,37?,38?,51+,52+,53?,54?,55-,56-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50021498
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:49:48:32:53.36.35,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C44H54N4O8/c49-29-7-5-25-19-31-43(53)13-11-27(39-41(43,35(25)37(29)55-39)15-17-47(31)21-23-1-2-23)45-33(51)9-10-34(52)46-28-12-14-44(54)32-20-26-6-8-30(50)38-36(26)42(44,40(28)56-38)16-18-48(32)22-24-3-4-24/h5-8,23-24,27-28,31-32,39-40,49-50,53-54H,1-4,9-22H2,(H,45,51)(H,46,52)/t27-,28-,31?,32?,39+,40+,41?,42?,43-,44-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50021499
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:57:56:40:61.44.43,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C48H60N6O10/c55-31-7-5-27-19-33-47(61)13-11-29(43-45(47,39(27)41(31)63-43)15-17-53(33)23-25-1-2-25)51-37(59)21-49-35(57)9-10-36(58)50-22-38(60)52-30-12-14-48(62)34-20-28-6-8-32(56)42-40(28)46(48,44(30)64-42)16-18-54(34)24-26-3-4-26/h5-8,25-26,29-30,33-34,43-44,55-56,61-62H,1-4,9-24H2,(H,49,57)(H,50,58)(H,51,59)(H,52,60)/t29-,30-,33?,34?,43+,44+,45?,46?,47-,48-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021499
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:57:56:40:61.44.43,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C48H60N6O10/c55-31-7-5-27-19-33-47(61)13-11-29(43-45(47,39(27)41(31)63-43)15-17-53(33)23-25-1-2-25)51-37(59)21-49-35(57)9-10-36(58)50-22-38(60)52-30-12-14-48(62)34-20-28-6-8-32(56)42-40(28)46(48,44(30)64-42)16-18-54(34)24-26-3-4-26/h5-8,25-26,29-30,33-34,43-44,55-56,61-62H,1-4,9-24H2,(H,49,57)(H,50,58)(H,51,59)(H,52,60)/t29-,30-,33?,34?,43+,44+,45?,46?,47-,48-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021495
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:65:64:48:69.52.51,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C52H66N8O12/c61-33-7-5-29-19-35-51(69)13-11-31(47-49(51,43(29)45(33)71-47)15-17-59(35)25-27-1-2-27)57-41(67)23-55-39(65)21-53-37(63)9-10-38(64)54-22-40(66)56-24-42(68)58-32-12-14-52(70)36-20-30-6-8-34(62)46-44(30)50(52,48(32)72-46)16-18-60(36)26-28-3-4-28/h5-8,27-28,31-32,35-36,47-48,61-62,69-70H,1-4,9-26H2,(H,53,63)(H,54,64)(H,55,65)(H,56,66)(H,57,67)(H,58,68)/t31-,32-,35?,36?,47+,48+,49?,50?,51-,52-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021493
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:73:72:56:77.60.59,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C56H72N10O14/c67-35-7-5-31-19-37-55(77)13-11-33(51-53(55,47(31)49(35)79-51)15-17-65(37)27-29-1-2-29)63-45(75)25-61-43(73)23-59-41(71)21-57-39(69)9-10-40(70)58-22-42(72)60-24-44(74)62-26-46(76)64-34-12-14-56(78)38-20-32-6-8-36(68)50-48(32)54(56,52(34)80-50)16-18-66(38)28-30-3-4-30/h5-8,29-30,33-34,37-38,51-52,67-68,77-78H,1-4,9-28H2,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t33-,34-,37?,38?,51+,52+,53?,54?,55-,56-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021495
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:65:64:48:69.52.51,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C52H66N8O12/c61-33-7-5-29-19-35-51(69)13-11-31(47-49(51,43(29)45(33)71-47)15-17-59(35)25-27-1-2-27)57-41(67)23-55-39(65)21-53-37(63)9-10-38(64)54-22-40(66)56-24-42(68)58-32-12-14-52(70)36-20-30-6-8-34(62)46-44(30)50(52,48(32)72-46)16-18-60(36)26-28-3-4-28/h5-8,27-28,31-32,35-36,47-48,61-62,69-70H,1-4,9-26H2,(H,53,63)(H,54,64)(H,55,65)(H,56,66)(H,57,67)(H,58,68)/t31-,32-,35?,36?,47+,48+,49?,50?,51-,52-/m1/s1
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4.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021493
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:73:72:56:77.60.59,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C56H72N10O14/c67-35-7-5-31-19-37-55(77)13-11-33(51-53(55,47(31)49(35)79-51)15-17-65(37)27-29-1-2-29)63-45(75)25-61-43(73)23-59-41(71)21-57-39(69)9-10-40(70)58-22-42(72)60-24-44(74)62-26-46(76)64-34-12-14-56(78)38-20-32-6-8-36(68)50-48(32)54(56,52(34)80-50)16-18-66(38)28-30-3-4-30/h5-8,29-30,33-34,37-38,51-52,67-68,77-78H,1-4,9-28H2,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t33-,34-,37?,38?,51+,52+,53?,54?,55-,56-/m1/s1
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6.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021499
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:57:56:40:61.44.43,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C48H60N6O10/c55-31-7-5-27-19-33-47(61)13-11-29(43-45(47,39(27)41(31)63-43)15-17-53(33)23-25-1-2-25)51-37(59)21-49-35(57)9-10-36(58)50-22-38(60)52-30-12-14-48(62)34-20-28-6-8-32(56)42-40(28)46(48,44(30)64-42)16-18-54(34)24-26-3-4-26/h5-8,25-26,29-30,33-34,43-44,55-56,61-62H,1-4,9-24H2,(H,49,57)(H,50,58)(H,51,59)(H,52,60)/t29-,30-,33?,34?,43+,44+,45?,46?,47-,48-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50021490
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13S,14R,17R)-12...)
Show SMILES [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:62:61:45:63.49.48,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C46H58N8O12/c1-53-15-13-43-37-23-3-5-27(55)39(37)65-41(43)25(9-11-45(43,63)29(53)17-23)51-35(61)21-49-33(59)19-47-31(57)7-8-32(58)48-20-34(60)50-22-36(62)52-26-10-12-46(64)30-18-24-4-6-28(56)40-38(24)44(46,42(26)66-40)14-16-54(30)2/h3-6,25-26,29-30,41-42,55-56,63-64H,7-22H2,1-2H3,(H,47,57)(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,52,62)/t25-,26-,29?,30?,41-,42-,43?,44?,45+,46+/m1/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021498
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:49:48:32:53.36.35,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C44H54N4O8/c49-29-7-5-25-19-31-43(53)13-11-27(39-41(43,35(25)37(29)55-39)15-17-47(31)21-23-1-2-23)45-33(51)9-10-34(52)46-28-12-14-44(54)32-20-26-6-8-30(50)38-36(26)42(44,40(28)56-38)16-18-48(32)22-24-3-4-24/h5-8,23-24,27-28,31-32,39-40,49-50,53-54H,1-4,9-22H2,(H,45,51)(H,46,52)/t27-,28-,31?,32?,39+,40+,41?,42?,43-,44-/m1/s1
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50021502
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:62:61:45:63.49.48,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C50H64N10O14/c1-59-15-13-47-41-25-3-5-29(61)43(41)73-45(47)27(9-11-49(47,71)31(59)17-25)57-39(69)23-55-37(67)21-53-35(65)19-51-33(63)7-8-34(64)52-20-36(66)54-22-38(68)56-24-40(70)58-28-10-12-50(72)32-18-26-4-6-30(62)44-42(26)48(50,46(28)74-44)14-16-60(32)2/h3-6,27-28,31-32,45-46,61-62,71-72H,7-24H2,1-2H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,67)(H,56,68)(H,57,69)(H,58,70)/t27-,28-,31?,32?,45-,46-,47?,48?,49+,50+/m0/s1
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021500
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(13R,14R,1...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(C)=O)ccc3O |r,THB:10:9:4.5.6:17|
Show InChI InChI=1S/C22H28N2O4/c1-12(25)23-15-6-7-22(27)17-10-14-4-5-16(26)19-18(14)21(22,20(15)28-19)8-9-24(17)11-13-2-3-13/h4-5,13,15,17,20,26-27H,2-3,6-11H2,1H3,(H,23,25)/t15-,17-,20+,21+,22-/m1/s1
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50021492
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12...)
Show SMILES [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:54:53:37:55.41.40,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C42H52N6O10/c1-47-15-13-39-33-21-3-5-25(49)35(33)57-37(39)23(9-11-41(39,55)27(47)17-21)45-31(53)19-43-29(51)7-8-30(52)44-20-32(54)46-24-10-12-42(56)28-18-22-4-6-26(50)36-34(22)40(42,38(24)58-36)14-16-48(28)2/h3-6,23-24,27-28,37-38,49-50,55-56H,7-20H2,1-2H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t23-,24-,27?,28?,37-,38-,39?,40?,41+,42+/m0/s1
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50021497
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12...)
Show SMILES [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:70:69:53:71.57.56,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C46H58N8O12/c1-53-15-13-43-37-23-3-5-27(55)39(37)65-41(43)25(9-11-45(43,63)29(53)17-23)51-35(61)21-49-33(59)19-47-31(57)7-8-32(58)48-20-34(60)50-22-36(62)52-26-10-12-46(64)30-18-24-4-6-28(56)40-38(24)44(46,42(26)66-40)14-16-54(30)2/h3-6,25-26,29-30,41-42,55-56,63-64H,7-22H2,1-2H3,(H,47,57)(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,52,62)/t25-,26-,29?,30?,41-,42-,43?,44?,45+,46+/m0/s1
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22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50021501
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12...)
Show SMILES [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:46:45:29:47.33.32,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C38H46N4O8/c1-41-15-13-35-29-19-3-5-23(43)31(29)49-33(35)21(9-11-37(35,47)25(41)17-19)39-27(45)7-8-28(46)40-22-10-12-38(48)26-18-20-4-6-24(44)32-30(20)36(38,34(22)50-32)14-16-42(26)2/h3-6,21-22,25-26,33-34,43-44,47-48H,7-18H2,1-2H3,(H,39,45)(H,40,46)/t21-,22-,25?,26?,33-,34-,35?,36?,37+,38+/m0/s1
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021496
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13S,14R,17R)-12...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:70:69:53:71.57.56,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C50H64N10O14/c1-59-15-13-47-41-25-3-5-29(61)43(41)73-45(47)27(9-11-49(47,71)31(59)17-25)57-39(69)23-55-37(67)21-53-35(65)19-51-33(63)7-8-34(64)52-20-36(66)54-22-38(68)56-24-40(70)58-28-10-12-50(72)32-18-26-4-6-30(62)44-42(26)48(50,46(28)74-44)14-16-60(32)2/h3-6,27-28,31-32,45-46,61-62,71-72H,7-24H2,1-2H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,67)(H,56,68)(H,57,69)(H,58,70)/t27-,28-,31?,32?,45-,46-,47?,48?,49+,50+/m1/s1
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021490
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13S,14R,17R)-12...)
Show SMILES [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:62:61:45:63.49.48,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C46H58N8O12/c1-53-15-13-43-37-23-3-5-27(55)39(37)65-41(43)25(9-11-45(43,63)29(53)17-23)51-35(61)21-49-33(59)19-47-31(57)7-8-32(58)48-20-34(60)50-22-36(62)52-26-10-12-46(64)30-18-24-4-6-28(56)40-38(24)44(46,42(26)66-40)14-16-54(30)2/h3-6,25-26,29-30,41-42,55-56,63-64H,7-22H2,1-2H3,(H,47,57)(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,52,62)/t25-,26-,29?,30?,41-,42-,43?,44?,45+,46+/m1/s1
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27n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against delta opioid receptor in guinea pig brain membrane using [3H]-EK as the radioligand


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50021496
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13S,14R,17R)-12...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:70:69:53:71.57.56,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C50H64N10O14/c1-59-15-13-47-41-25-3-5-29(61)43(41)73-45(47)27(9-11-49(47,71)31(59)17-25)57-39(69)23-55-37(67)21-53-35(65)19-51-33(63)7-8-34(64)52-20-36(66)54-22-38(68)56-24-40(70)58-28-10-12-50(72)32-18-26-4-6-30(62)44-42(26)48(50,46(28)74-44)14-16-60(32)2/h3-6,27-28,31-32,45-46,61-62,71-72H,7-24H2,1-2H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,67)(H,56,68)(H,57,69)(H,58,70)/t27-,28-,31?,32?,45-,46-,47?,48?,49+,50+/m1/s1
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34n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021500
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(13R,14R,1...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(C)=O)ccc3O |r,THB:10:9:4.5.6:17|
Show InChI InChI=1S/C22H28N2O4/c1-12(25)23-15-6-7-22(27)17-10-14-4-5-16(26)19-18(14)21(22,20(15)28-19)8-9-24(17)11-13-2-3-13/h4-5,13,15,17,20,26-27H,2-3,6-11H2,1H3,(H,23,25)/t15-,17-,20+,21+,22-/m1/s1
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38n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021497
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12...)
Show SMILES [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:70:69:53:71.57.56,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C46H58N8O12/c1-53-15-13-43-37-23-3-5-27(55)39(37)65-41(43)25(9-11-45(43,63)29(53)17-23)51-35(61)21-49-33(59)19-47-31(57)7-8-32(58)48-20-34(60)50-22-36(62)52-26-10-12-46(64)30-18-24-4-6-28(56)40-38(24)44(46,42(26)66-40)14-16-54(30)2/h3-6,25-26,29-30,41-42,55-56,63-64H,7-22H2,1-2H3,(H,47,57)(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,52,62)/t25-,26-,29?,30?,41-,42-,43?,44?,45+,46+/m0/s1
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42n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50021491
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13S,14R,17R)-12...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:54:53:37:55.41.40,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C42H52N6O10/c1-47-15-13-39-33-21-3-5-25(49)35(33)57-37(39)23(9-11-41(39,55)27(47)17-21)45-31(53)19-43-29(51)7-8-30(52)44-20-32(54)46-24-10-12-42(56)28-18-22-4-6-26(50)36-34(22)40(42,38(24)58-36)14-16-48(28)2/h3-6,23-24,27-28,37-38,49-50,55-56H,7-20H2,1-2H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t23-,24-,27?,28?,37-,38-,39?,40?,41+,42+/m1/s1
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44n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021502
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:62:61:45:63.49.48,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C50H64N10O14/c1-59-15-13-47-41-25-3-5-29(61)43(41)73-45(47)27(9-11-49(47,71)31(59)17-25)57-39(69)23-55-37(67)21-53-35(65)19-51-33(63)7-8-34(64)52-20-36(66)54-22-38(68)56-24-40(70)58-28-10-12-50(72)32-18-26-4-6-30(62)44-42(26)48(50,46(28)74-44)14-16-60(32)2/h3-6,27-28,31-32,45-46,61-62,71-72H,7-24H2,1-2H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,67)(H,56,68)(H,57,69)(H,58,70)/t27-,28-,31?,32?,45-,46-,47?,48?,49+,50+/m0/s1
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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50021504
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13S,14R,17R)-12...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:46:45:29:47.33.32,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C38H46N4O8/c1-41-15-13-35-29-19-3-5-23(43)31(29)49-33(35)21(9-11-37(35,47)25(41)17-19)39-27(45)7-8-28(46)40-22-10-12-38(48)26-18-20-4-6-24(44)32-30(20)36(38,34(22)50-32)14-16-42(26)2/h3-6,21-22,25-26,33-34,43-44,47-48H,7-18H2,1-2H3,(H,39,45)(H,40,46)/t21-,22-,25?,26?,33-,34-,35?,36?,37+,38+/m1/s1
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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50021494
PNG
(1N-[10,17-dihydroxy-4-methyl-(13R,14R,17S)-12-oxa-...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@H]2NC(C)=O)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C19H24N2O4/c1-10(22)20-12-5-6-19(24)14-9-11-3-4-13(23)16-15(11)18(19,17(12)25-16)7-8-21(14)2/h3-4,12,14,17,23-24H,5-9H2,1-2H3,(H,20,22)/t12-,14?,17+,18?,19-/m1/s1
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63n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021492
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12...)
Show SMILES [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:54:53:37:55.41.40,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C42H52N6O10/c1-47-15-13-39-33-21-3-5-25(49)35(33)57-37(39)23(9-11-41(39,55)27(47)17-21)45-31(53)19-43-29(51)7-8-30(52)44-20-32(54)46-24-10-12-42(56)28-18-22-4-6-26(50)36-34(22)40(42,38(24)58-36)14-16-48(28)2/h3-6,23-24,27-28,37-38,49-50,55-56H,7-20H2,1-2H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t23-,24-,27?,28?,37-,38-,39?,40?,41+,42+/m0/s1
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86n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021490
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13S,14R,17R)-12...)
Show SMILES [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:62:61:45:63.49.48,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C46H58N8O12/c1-53-15-13-43-37-23-3-5-27(55)39(37)65-41(43)25(9-11-45(43,63)29(53)17-23)51-35(61)21-49-33(59)19-47-31(57)7-8-32(58)48-20-34(60)50-22-36(62)52-26-10-12-46(64)30-18-24-4-6-28(56)40-38(24)44(46,42(26)66-40)14-16-54(30)2/h3-6,25-26,29-30,41-42,55-56,63-64H,7-22H2,1-2H3,(H,47,57)(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,52,62)/t25-,26-,29?,30?,41-,42-,43?,44?,45+,46+/m1/s1
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94n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021504
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13S,14R,17R)-12...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:46:45:29:47.33.32,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C38H46N4O8/c1-41-15-13-35-29-19-3-5-23(43)31(29)49-33(35)21(9-11-37(35,47)25(41)17-19)39-27(45)7-8-28(46)40-22-10-12-38(48)26-18-20-4-6-24(44)32-30(20)36(38,34(22)50-32)14-16-42(26)2/h3-6,21-22,25-26,33-34,43-44,47-48H,7-18H2,1-2H3,(H,39,45)(H,40,46)/t21-,22-,25?,26?,33-,34-,35?,36?,37+,38+/m1/s1
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021491
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13S,14R,17R)-12...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:54:53:37:55.41.40,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C42H52N6O10/c1-47-15-13-39-33-21-3-5-25(49)35(33)57-37(39)23(9-11-41(39,55)27(47)17-21)45-31(53)19-43-29(51)7-8-30(52)44-20-32(54)46-24-10-12-42(56)28-18-22-4-6-26(50)36-34(22)40(42,38(24)58-36)14-16-48(28)2/h3-6,23-24,27-28,37-38,49-50,55-56H,7-20H2,1-2H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t23-,24-,27?,28?,37-,38-,39?,40?,41+,42+/m1/s1
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50021503
PNG
(1N-[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12-oxa-...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(C)=O)ccc3O |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C19H24N2O4/c1-10(22)20-12-5-6-19(24)14-9-11-3-4-13(23)16-15(11)18(19,17(12)25-16)7-8-21(14)2/h3-4,12,14,17,23-24H,5-9H2,1-2H3,(H,20,22)/t12-,14+,17-,18-,19+/m0/s1
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180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021501
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12...)
Show SMILES [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:46:45:29:47.33.32,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C38H46N4O8/c1-41-15-13-35-29-19-3-5-23(43)31(29)49-33(35)21(9-11-37(35,47)25(41)17-19)39-27(45)7-8-28(46)40-22-10-12-38(48)26-18-20-4-6-24(44)32-30(20)36(38,34(22)50-32)14-16-42(26)2/h3-6,21-22,25-26,33-34,43-44,47-48H,7-18H2,1-2H3,(H,39,45)(H,40,46)/t21-,22-,25?,26?,33-,34-,35?,36?,37+,38+/m0/s1
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180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021492
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12...)
Show SMILES [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:54:53:37:55.41.40,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C42H52N6O10/c1-47-15-13-39-33-21-3-5-25(49)35(33)57-37(39)23(9-11-41(39,55)27(47)17-21)45-31(53)19-43-29(51)7-8-30(52)44-20-32(54)46-24-10-12-42(56)28-18-22-4-6-26(50)36-34(22)40(42,38(24)58-36)14-16-48(28)2/h3-6,23-24,27-28,37-38,49-50,55-56H,7-20H2,1-2H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t23-,24-,27?,28?,37-,38-,39?,40?,41+,42+/m0/s1
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021501
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12...)
Show SMILES [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:46:45:29:47.33.32,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C38H46N4O8/c1-41-15-13-35-29-19-3-5-23(43)31(29)49-33(35)21(9-11-37(35,47)25(41)17-19)39-27(45)7-8-28(46)40-22-10-12-38(48)26-18-20-4-6-24(44)32-30(20)36(38,34(22)50-32)14-16-42(26)2/h3-6,21-22,25-26,33-34,43-44,47-48H,7-18H2,1-2H3,(H,39,45)(H,40,46)/t21-,22-,25?,26?,33-,34-,35?,36?,37+,38+/m0/s1
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021497
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12...)
Show SMILES [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:70:69:53:71.57.56,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C46H58N8O12/c1-53-15-13-43-37-23-3-5-27(55)39(37)65-41(43)25(9-11-45(43,63)29(53)17-23)51-35(61)21-49-33(59)19-47-31(57)7-8-32(58)48-20-34(60)50-22-36(62)52-26-10-12-46(64)30-18-24-4-6-28(56)40-38(24)44(46,42(26)66-40)14-16-54(30)2/h3-6,25-26,29-30,41-42,55-56,63-64H,7-22H2,1-2H3,(H,47,57)(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,52,62)/t25-,26-,29?,30?,41-,42-,43?,44?,45+,46+/m0/s1
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270n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021502
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:62:61:45:63.49.48,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C50H64N10O14/c1-59-15-13-47-41-25-3-5-29(61)43(41)73-45(47)27(9-11-49(47,71)31(59)17-25)57-39(69)23-55-37(67)21-53-35(65)19-51-33(63)7-8-34(64)52-20-36(66)54-22-38(68)56-24-40(70)58-28-10-12-50(72)32-18-26-4-6-30(62)44-42(26)48(50,46(28)74-44)14-16-60(32)2/h3-6,27-28,31-32,45-46,61-62,71-72H,7-24H2,1-2H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,67)(H,56,68)(H,57,69)(H,58,70)/t27-,28-,31?,32?,45-,46-,47?,48?,49+,50+/m0/s1
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460n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021503
PNG
(1N-[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12-oxa-...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(C)=O)ccc3O |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C19H24N2O4/c1-10(22)20-12-5-6-19(24)14-9-11-3-4-13(23)16-15(11)18(19,17(12)25-16)7-8-21(14)2/h3-4,12,14,17,23-24H,5-9H2,1-2H3,(H,20,22)/t12-,14+,17-,18-,19+/m0/s1
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480n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021504
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13S,14R,17R)-12...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:46:45:29:47.33.32,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C38H46N4O8/c1-41-15-13-35-29-19-3-5-23(43)31(29)49-33(35)21(9-11-37(35,47)25(41)17-19)39-27(45)7-8-28(46)40-22-10-12-38(48)26-18-20-4-6-24(44)32-30(20)36(38,34(22)50-32)14-16-42(26)2/h3-6,21-22,25-26,33-34,43-44,47-48H,7-18H2,1-2H3,(H,39,45)(H,40,46)/t21-,22-,25?,26?,33-,34-,35?,36?,37+,38+/m1/s1
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500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021491
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13S,14R,17R)-12...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:54:53:37:55.41.40,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C42H52N6O10/c1-47-15-13-39-33-21-3-5-25(49)35(33)57-37(39)23(9-11-41(39,55)27(47)17-21)45-31(53)19-43-29(51)7-8-30(52)44-20-32(54)46-24-10-12-42(56)28-18-22-4-6-26(50)36-34(22)40(42,38(24)58-36)14-16-48(28)2/h3-6,23-24,27-28,37-38,49-50,55-56H,7-20H2,1-2H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t23-,24-,27?,28?,37-,38-,39?,40?,41+,42+/m1/s1
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590n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021494
PNG
(1N-[10,17-dihydroxy-4-methyl-(13R,14R,17S)-12-oxa-...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@H]2NC(C)=O)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C19H24N2O4/c1-10(22)20-12-5-6-19(24)14-9-11-3-4-13(23)16-15(11)18(19,17(12)25-16)7-8-21(14)2/h3-4,12,14,17,23-24H,5-9H2,1-2H3,(H,20,22)/t12-,14?,17+,18?,19-/m1/s1
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700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021496
PNG
(1N,4N-di[10,17-dihydroxy-4-methyl-(13S,14R,17R)-12...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:70:69:53:71.57.56,THB:9:8:13:4.5.6|
Show InChI InChI=1S/C50H64N10O14/c1-59-15-13-47-41-25-3-5-29(61)43(41)73-45(47)27(9-11-49(47,71)31(59)17-25)57-39(69)23-55-37(67)21-53-35(65)19-51-33(63)7-8-34(64)52-20-36(66)54-22-38(68)56-24-40(70)58-28-10-12-50(72)32-18-26-4-6-30(62)44-42(26)48(50,46(28)74-44)14-16-60(32)2/h3-6,27-28,31-32,45-46,61-62,71-72H,7-24H2,1-2H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,67)(H,56,68)(H,57,69)(H,58,70)/t27-,28-,31?,32?,45-,46-,47?,48?,49+,50+/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021494
PNG
(1N-[10,17-dihydroxy-4-methyl-(13R,14R,17S)-12-oxa-...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@H]2NC(C)=O)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C19H24N2O4/c1-10(22)20-12-5-6-19(24)14-9-11-3-4-13(23)16-15(11)18(19,17(12)25-16)7-8-21(14)2/h3-4,12,14,17,23-24H,5-9H2,1-2H3,(H,20,22)/t12-,14?,17+,18?,19-/m1/s1
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4.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021503
PNG
(1N-[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12-oxa-...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(C)=O)ccc3O |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C19H24N2O4/c1-10(22)20-12-5-6-19(24)14-9-11-3-4-13(23)16-15(11)18(19,17(12)25-16)7-8-21(14)2/h3-4,12,14,17,23-24H,5-9H2,1-2H3,(H,20,22)/t12-,14+,17-,18-,19+/m0/s1
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6.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair