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PubMed code 1320122

Compile data set for download or QSAR
Found 54 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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000806
PNG
(13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...)
Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C
Show InChI InChI=1S/C31H41N5O7S2/c1-17-13-20(37)12-11-19(17)15-21(32)26(39)35-24-28(41)33-16-23(38)34-22(14-18-9-7-6-8-10-18)27(40)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-13,21-22,24-25,37H,14-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t21-,22-,24-,25-/m0/s1
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n/an/a 0.890n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity in comparison with [3H]- DPDPE (opioid receptor delta selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity in comparison with [3H]-[p-Cl-Phe4]-DPDPE (opioid receptor delta selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000805
PNG
(13-[(2-Amino-6-hydroxy-1,2,3,4,4a,8a-hexahydro-nap...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@]2(N)CCC3CC(=O)C=CC3C2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C32H43N5O7S2/c1-30(2)24(37-29(44)32(33)13-12-19-15-21(38)11-10-20(19)16-32)27(41)34-17-23(39)35-22(14-18-8-6-5-7-9-18)26(40)36-25(28(42)43)31(3,4)46-45-30/h5-11,19-20,22,24-25H,12-17,33H2,1-4H3,(H,34,41)(H,35,39)(H,36,40)(H,37,44)(H,42,43)/t19?,20?,22-,24-,25-,32-/m0/s1
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n/an/a 2.36n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity in comparison with [3H]-[p-Cl-Phe4]-DPDPE (opioid receptor delta selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against opioid receptor delta of Mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50000806
PNG
(13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...)
Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C
Show InChI InChI=1S/C31H41N5O7S2/c1-17-13-20(37)12-11-19(17)15-21(32)26(39)35-24-28(41)33-16-23(38)34-22(14-18-9-7-6-8-10-18)27(40)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-13,21-22,24-25,37H,14-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t21-,22-,24-,25-/m0/s1
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n/an/a 4.52n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against opioid receptor delta of Mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity in comparison with [3H]- DPDPE (opioid receptor delta selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50000799
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21+,23+,24+,25+/m1/s1
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n/an/a 14.6n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the percentage of maximum inhibition at Opioid receptor delta 1


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000807
PNG
(13-[2-Amino-3-(4-hydroxy-3-methoxy-phenyl)-propion...)
Show SMILES COc1cc(C[C@H](N)C(=O)N[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC2(C)C)ccc1O
Show InChI InChI=1S/C31H41N5O8S2/c1-30(2)24(35-26(39)19(32)13-18-11-12-21(37)22(15-18)44-5)28(41)33-16-23(38)34-20(14-17-9-7-6-8-10-17)27(40)36-25(29(42)43)31(3,4)46-45-30/h6-12,15,19-20,24-25,37H,13-14,16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t19-,20-,24-,25-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity in comparison with [3H]- DPDPE (delta opioid receptor selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000805
PNG
(13-[(2-Amino-6-hydroxy-1,2,3,4,4a,8a-hexahydro-nap...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@]2(N)CCC3CC(=O)C=CC3C2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C32H43N5O7S2/c1-30(2)24(37-29(44)32(33)13-12-19-15-21(38)11-10-20(19)16-32)27(41)34-17-23(39)35-22(14-18-8-6-5-7-9-18)26(40)36-25(28(42)43)31(3,4)46-45-30/h5-11,19-20,22,24-25H,12-17,33H2,1-4H3,(H,34,41)(H,35,39)(H,36,40)(H,37,44)(H,42,43)/t19?,20?,22-,24-,25-,32-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity in comparison with [3H]-[p-Cl-Phe4]-DPDPE (opioid receptor delta selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000807
PNG
(13-[2-Amino-3-(4-hydroxy-3-methoxy-phenyl)-propion...)
Show SMILES COc1cc(C[C@H](N)C(=O)N[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC2(C)C)ccc1O
Show InChI InChI=1S/C31H41N5O8S2/c1-30(2)24(35-26(39)19(32)13-18-11-12-21(37)22(15-18)44-5)28(41)33-16-23(38)34-20(14-17-9-7-6-8-10-17)27(40)36-25(29(42)43)31(3,4)46-45-30/h6-12,15,19-20,24-25,37H,13-14,16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t19-,20-,24-,25-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity in comparison with [3H]-[p-Cl-Phe4]-DPDPE (delta opioid receptor selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000800
PNG
(13-[2-Amino-3-(4-hydroxy-3-iodo-phenyl)-propionyla...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(I)c2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38IN5O7S2/c1-29(2)23(35-25(39)19(32)13-17-10-11-21(37)18(31)12-17)27(41)33-15-22(38)34-20(14-16-8-6-5-7-9-16)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,19-20,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t19-,20-,23-,24-/m0/s1
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n/an/a 54.6n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity in comparison with [3H]- DPDPE (delta opioid receptor selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000799
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21+,23+,24+,25+/m1/s1
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n/an/a 84.8n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity in comparison with [3H]-[p-Cl-Phe4]-DPDPE (delta opioid receptor selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000808
PNG
(13-[2-Amino-3-(3-amino-4-hydroxy-phenyl)-propionyl...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(N)c2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H40N6O7S2/c1-29(2)23(35-25(39)19(32)13-17-10-11-21(37)18(31)12-17)27(41)33-15-22(38)34-20(14-16-8-6-5-7-9-16)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,19-20,23-24,37H,13-15,31-32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t19-,20-,23-,24-/m0/s1
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n/an/a 93n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50000808
PNG
(13-[2-Amino-3-(3-amino-4-hydroxy-phenyl)-propionyl...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(N)c2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H40N6O7S2/c1-29(2)23(35-25(39)19(32)13-17-10-11-21(37)18(31)12-17)27(41)33-15-22(38)34-20(14-16-8-6-5-7-9-16)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,19-20,23-24,37H,13-15,31-32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t19-,20-,23-,24-/m0/s1
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n/an/a 111n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against delta opioid receptors of Mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50000805
PNG
(13-[(2-Amino-6-hydroxy-1,2,3,4,4a,8a-hexahydro-nap...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@]2(N)CCC3CC(=O)C=CC3C2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C32H43N5O7S2/c1-30(2)24(37-29(44)32(33)13-12-19-15-21(38)11-10-20(19)16-32)27(41)34-17-23(39)35-22(14-18-8-6-5-7-9-18)26(40)36-25(28(42)43)31(3,4)46-45-30/h5-11,19-20,22,24-25H,12-17,33H2,1-4H3,(H,34,41)(H,35,39)(H,36,40)(H,37,44)(H,42,43)/t19?,20?,22-,24-,25-,32-/m0/s1
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n/an/a 137n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against opioid receptor delta of Mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50000805
PNG
(13-[(2-Amino-6-hydroxy-1,2,3,4,4a,8a-hexahydro-nap...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@]2(N)CCC3CC(=O)C=CC3C2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C32H43N5O7S2/c1-30(2)24(37-29(44)32(33)13-12-19-15-21(38)11-10-20(19)16-32)27(41)34-17-23(39)35-22(14-18-8-6-5-7-9-18)26(40)36-25(28(42)43)31(3,4)46-45-30/h5-11,19-20,22,24-25H,12-17,33H2,1-4H3,(H,34,41)(H,35,39)(H,36,40)(H,37,44)(H,42,43)/t19?,20?,22-,24-,25-,32-/m0/s1
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n/an/a 137n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against opioid receptor delta of Mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50000807
PNG
(13-[2-Amino-3-(4-hydroxy-3-methoxy-phenyl)-propion...)
Show SMILES COc1cc(C[C@H](N)C(=O)N[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC2(C)C)ccc1O
Show InChI InChI=1S/C31H41N5O8S2/c1-30(2)24(35-26(39)19(32)13-18-11-12-21(37)22(15-18)44-5)28(41)33-16-23(38)34-20(14-17-9-7-6-8-10-17)27(40)36-25(29(42)43)31(3,4)46-45-30/h6-12,15,19-20,24-25,37H,13-14,16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t19-,20-,24-,25-/m0/s1
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n/an/a 137n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50000802
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21-,23-,24-,25-/m0/s1
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n/an/a 243n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the percentage of maximum inhibition at Opioid receptor delta 1


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50000800
PNG
(13-[2-Amino-3-(4-hydroxy-3-iodo-phenyl)-propionyla...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(I)c2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38IN5O7S2/c1-29(2)23(35-25(39)19(32)13-17-10-11-21(37)18(31)12-17)27(41)33-15-22(38)34-20(14-16-8-6-5-7-9-16)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,19-20,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t19-,20-,23-,24-/m0/s1
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n/an/a 262n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000809
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@@H]([C@@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21+,23-,24+,25+/m1/s1
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n/an/a 426n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity in comparison with [3H]-[p-Cl-Phe4]-DPDPE (delta opioid receptor selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000806
PNG
(13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...)
Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C
Show InChI InChI=1S/C31H41N5O7S2/c1-17-13-20(37)12-11-19(17)15-21(32)26(39)35-24-28(41)33-16-23(38)34-22(14-18-9-7-6-8-10-18)27(40)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-13,21-22,24-25,37H,14-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t21-,22-,24-,25-/m0/s1
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n/an/a 431n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against opioid receptor delta of Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000802
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21-,23-,24-,25-/m0/s1
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n/an/a 440n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity in comparison with [3H]-[p-Cl-Phe4]-DPDPE (delta opioid receptor selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 609n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]- CTOP (opioid receptor mu selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50000803
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@H]([C@@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21-,23+,24-,25-/m0/s1
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n/an/a 698n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the percentage of maximum inhibition at Opioid receptor delta 1


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000804
PNG
(13-[2-Amino-3-(4-hydroxy-3-nitro-phenyl)-propionyl...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(c2)[N+]([O-])=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38N6O9S2/c1-29(2)23(34-25(39)18(31)12-17-10-11-21(37)20(14-17)36(44)45)27(41)32-15-22(38)33-19(13-16-8-6-5-7-9-16)26(40)35-24(28(42)43)30(3,4)47-46-29/h5-11,14,18-19,23-24,37H,12-13,15,31H2,1-4H3,(H,32,41)(H,33,38)(H,34,39)(H,35,40)(H,42,43)/t18-,19-,23-,24-/m0/s1
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n/an/a 720n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity in comparison with [3H]-[p-Cl-Phe4]-DPDPE (opioid receptor delta selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50000801
PNG
(13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...)
Show SMILES Cc1cc(O)ccc1C[C@@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C
Show InChI InChI=1S/C31H41N5O7S2/c1-17-13-20(37)12-11-19(17)15-21(32)26(39)35-24-28(41)33-16-23(38)34-22(14-18-9-7-6-8-10-18)27(40)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-13,21-22,24-25,37H,14-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t21-,22+,24+,25+/m1/s1
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n/an/a 763n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the percentage of maximum inhibition at Opioid receptor delta 1


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50000804
PNG
(13-[2-Amino-3-(4-hydroxy-3-nitro-phenyl)-propionyl...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(c2)[N+]([O-])=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38N6O9S2/c1-29(2)23(34-25(39)18(31)12-17-10-11-21(37)20(14-17)36(44)45)27(41)32-15-22(38)33-19(13-16-8-6-5-7-9-16)26(40)35-24(28(42)43)30(3,4)47-46-29/h5-11,14,18-19,23-24,37H,12-13,15,31H2,1-4H3,(H,32,41)(H,33,38)(H,34,39)(H,35,40)(H,42,43)/t18-,19-,23-,24-/m0/s1
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n/an/a 1.01E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against opioid receptor delta of Mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000801
PNG
(13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...)
Show SMILES Cc1cc(O)ccc1C[C@@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C
Show InChI InChI=1S/C31H41N5O7S2/c1-17-13-20(37)12-11-19(17)15-21(32)26(39)35-24-28(41)33-16-23(38)34-22(14-18-9-7-6-8-10-18)27(40)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-13,21-22,24-25,37H,14-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t21-,22+,24+,25+/m1/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity in comparison with [3H]-[p-Cl-Phe4]-DPDPE (delta opioid receptor selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000806
PNG
(13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...)
Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C
Show InChI InChI=1S/C31H41N5O7S2/c1-17-13-20(37)12-11-19(17)15-21(32)26(39)35-24-28(41)33-16-23(38)34-22(14-18-9-7-6-8-10-18)27(40)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-13,21-22,24-25,37H,14-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t21-,22-,24-,25-/m0/s1
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n/an/a 1.17E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]- CTOP (opioid receptor mu selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000805
PNG
(13-[(2-Amino-6-hydroxy-1,2,3,4,4a,8a-hexahydro-nap...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@]2(N)CCC3CC(=O)C=CC3C2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C32H43N5O7S2/c1-30(2)24(37-29(44)32(33)13-12-19-15-21(38)11-10-20(19)16-32)27(41)34-17-23(39)35-22(14-18-8-6-5-7-9-18)26(40)36-25(28(42)43)31(3,4)46-45-30/h5-11,19-20,22,24-25H,12-17,33H2,1-4H3,(H,34,41)(H,35,39)(H,36,40)(H,37,44)(H,42,43)/t19?,20?,22-,24-,25-,32-/m0/s1
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n/an/a 1.44E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]- CTOP (opioid receptor mu selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000805
PNG
(13-[(2-Amino-6-hydroxy-1,2,3,4,4a,8a-hexahydro-nap...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@]2(N)CCC3CC(=O)C=CC3C2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C32H43N5O7S2/c1-30(2)24(37-29(44)32(33)13-12-19-15-21(38)11-10-20(19)16-32)27(41)34-17-23(39)35-22(14-18-8-6-5-7-9-18)26(40)36-25(28(42)43)31(3,4)46-45-30/h5-11,19-20,22,24-25H,12-17,33H2,1-4H3,(H,34,41)(H,35,39)(H,36,40)(H,37,44)(H,42,43)/t19?,20?,22-,24-,25-,32-/m0/s1
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n/an/a 1.44E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]- CTOP (opioid receptor mu selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000804
PNG
(13-[2-Amino-3-(4-hydroxy-3-nitro-phenyl)-propionyl...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(c2)[N+]([O-])=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38N6O9S2/c1-29(2)23(34-25(39)18(31)12-17-10-11-21(37)20(14-17)36(44)45)27(41)32-15-22(38)33-19(13-16-8-6-5-7-9-16)26(40)35-24(28(42)43)30(3,4)47-46-29/h5-11,14,18-19,23-24,37H,12-13,15,31H2,1-4H3,(H,32,41)(H,33,38)(H,34,39)(H,35,40)(H,42,43)/t18-,19-,23-,24-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]- CTOP (opioid receptor mu selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000799
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21+,23+,24+,25+/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000807
PNG
(13-[2-Amino-3-(4-hydroxy-3-methoxy-phenyl)-propion...)
Show SMILES COc1cc(C[C@H](N)C(=O)N[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC2(C)C)ccc1O
Show InChI InChI=1S/C31H41N5O8S2/c1-30(2)24(35-26(39)19(32)13-18-11-12-21(37)22(15-18)44-5)28(41)33-16-23(38)34-20(14-17-9-7-6-8-10-17)27(40)36-25(29(42)43)31(3,4)46-45-30/h6-12,15,19-20,24-25,37H,13-14,16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t19-,20-,24-,25-/m0/s1
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n/an/a 4.11E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]- CTOP (mu opioid receptor selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000804
PNG
(13-[2-Amino-3-(4-hydroxy-3-nitro-phenyl)-propionyl...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(c2)[N+]([O-])=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38N6O9S2/c1-29(2)23(34-25(39)18(31)12-17-10-11-21(37)20(14-17)36(44)45)27(41)32-15-22(38)33-19(13-16-8-6-5-7-9-16)26(40)35-24(28(42)43)30(3,4)47-46-29/h5-11,14,18-19,23-24,37H,12-13,15,31H2,1-4H3,(H,32,41)(H,33,38)(H,34,39)(H,35,40)(H,42,43)/t18-,19-,23-,24-/m0/s1
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n/an/a 5.21E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity in comparison with [3H]- DPDPE (opioid receptor delta selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000800
PNG
(13-[2-Amino-3-(4-hydroxy-3-iodo-phenyl)-propionyla...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(I)c2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38IN5O7S2/c1-29(2)23(35-25(39)19(32)13-17-10-11-21(37)18(31)12-17)27(41)33-15-22(38)34-20(14-16-8-6-5-7-9-16)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,19-20,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t19-,20-,23-,24-/m0/s1
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n/an/a 5.53E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]- CTOP (mu opioid receptor selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000805
PNG
(13-[(2-Amino-6-hydroxy-1,2,3,4,4a,8a-hexahydro-nap...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@]2(N)CCC3CC(=O)C=CC3C2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C32H43N5O7S2/c1-30(2)24(37-29(44)32(33)13-12-19-15-21(38)11-10-20(19)16-32)27(41)34-17-23(39)35-22(14-18-8-6-5-7-9-18)26(40)36-25(28(42)43)31(3,4)46-45-30/h5-11,19-20,22,24-25H,12-17,33H2,1-4H3,(H,34,41)(H,35,39)(H,36,40)(H,37,44)(H,42,43)/t19?,20?,22-,24-,25-,32-/m0/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against opioid receptor delta of Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000801
PNG
(13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...)
Show SMILES Cc1cc(O)ccc1C[C@@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C
Show InChI InChI=1S/C31H41N5O7S2/c1-17-13-20(37)12-11-19(17)15-21(32)26(39)35-24-28(41)33-16-23(38)34-22(14-18-9-7-6-8-10-18)27(40)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-13,21-22,24-25,37H,14-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t21-,22+,24+,25+/m1/s1
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n/an/a 6.61E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000802
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21-,23-,24-,25-/m0/s1
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n/an/a 7.18E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


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



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against opioid receptor delta of Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000808
PNG
(13-[2-Amino-3-(3-amino-4-hydroxy-phenyl)-propionyl...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(N)c2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H40N6O7S2/c1-29(2)23(35-25(39)19(32)13-17-10-11-21(37)18(31)12-17)27(41)33-15-22(38)34-20(14-16-8-6-5-7-9-16)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,19-20,23-24,37H,13-15,31-32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t19-,20-,23-,24-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]- CTOP (mu opioid receptor selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000801
PNG
(13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...)
Show SMILES Cc1cc(O)ccc1C[C@@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C
Show InChI InChI=1S/C31H41N5O7S2/c1-17-13-20(37)12-11-19(17)15-21(32)26(39)35-24-28(41)33-16-23(38)34-22(14-18-9-7-6-8-10-18)27(40)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-13,21-22,24-25,37H,14-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t21-,22+,24+,25+/m1/s1
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n/an/a 1.66E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]- CTOP (mu opioid receptor selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000802
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21-,23-,24-,25-/m0/s1
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n/an/a 1.86E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]- CTOP (mu opioid receptor selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000803
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@H]([C@@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21-,23+,24-,25-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity in comparison with [3H]-[p-Cl-Phe4]-DPDPE (delta opioid receptor selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000799
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21+,23+,24+,25+/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]- CTOP (mu opioid receptor selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50000809
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@@H]([C@@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21+,23-,24+,25+/m1/s1
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n/an/a 2.07E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000809
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@@H]([C@@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21+,23-,24+,25+/m1/s1
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n/an/a 2.28E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]- CTOP (mu opioid receptor selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000800
PNG
(13-[2-Amino-3-(4-hydroxy-3-iodo-phenyl)-propionyla...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(I)c2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38IN5O7S2/c1-29(2)23(35-25(39)19(32)13-17-10-11-21(37)18(31)12-17)27(41)33-15-22(38)34-20(14-16-8-6-5-7-9-16)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,19-20,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t19-,20-,23-,24-/m0/s1
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n/an/a 2.46E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against delta opioid receptors of Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000803
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@H]([C@@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21-,23+,24-,25-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]- CTOP (mu opioid receptor selective ligand)


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000803
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@H]([C@@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21-,23+,24-,25-/m0/s1
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n/an/a 4.91E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000804
PNG
(13-[2-Amino-3-(4-hydroxy-3-nitro-phenyl)-propionyl...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(c2)[N+]([O-])=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38N6O9S2/c1-29(2)23(34-25(39)18(31)12-17-10-11-21(37)20(14-17)36(44)45)27(41)32-15-22(38)33-19(13-16-8-6-5-7-9-16)26(40)35-24(28(42)43)30(3,4)47-46-29/h5-11,14,18-19,23-24,37H,12-13,15,31H2,1-4H3,(H,32,41)(H,33,38)(H,34,39)(H,35,40)(H,42,43)/t18-,19-,23-,24-/m0/s1
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n/an/a 9.00E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against opioid receptor delta of Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000809
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@@H]([C@@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21+,23-,24+,25+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000808
PNG
(13-[2-Amino-3-(3-amino-4-hydroxy-phenyl)-propionyl...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(N)c2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H40N6O7S2/c1-29(2)23(35-25(39)19(32)13-17-10-11-21(37)18(31)12-17)27(41)33-15-22(38)34-20(14-16-8-6-5-7-9-16)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,19-20,23-24,37H,13-15,31-32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t19-,20-,23-,24-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000807
PNG
(13-[2-Amino-3-(4-hydroxy-3-methoxy-phenyl)-propion...)
Show SMILES COc1cc(C[C@H](N)C(=O)N[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC2(C)C)ccc1O
Show InChI InChI=1S/C31H41N5O8S2/c1-30(2)24(35-26(39)19(32)13-18-11-12-21(37)22(15-18)44-5)28(41)33-16-23(38)34-20(14-17-9-7-6-8-10-17)27(40)36-25(29(42)43)31(3,4)46-45-30/h6-12,15,19-20,24-25,37H,13-14,16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t19-,20-,24-,25-/m0/s1
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n/an/a 6.00E+5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%