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PubMed code 14640558

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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027094
PNG
(CHEMBL2112374)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(CNC(N)=N)cc12)ccc3O |THB:10:9:17:4.5.6|
Show InChI InChI=1S/C28H31N5O3/c29-26(30)31-12-15-3-5-19-17(9-15)18-11-28(35)21-10-16-4-6-20(34)24-22(16)27(28,25(36-24)23(18)32-19)7-8-33(21)13-14-1-2-14/h3-6,9,14,21,25,32,34-35H,1-2,7-8,10-13H2,(H4,29,30,31)/t21-,25+,27+,28-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027093
PNG
(CHEMBL2112373)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(CCNC(N)=N)cc12)ccc3O |THB:10:9:17:4.5.6|
Show InChI InChI=1S/C29H33N5O3/c30-27(31)32-9-7-15-3-5-20-18(11-15)19-13-29(36)22-12-17-4-6-21(35)25-23(17)28(29,26(37-25)24(19)33-20)8-10-34(22)14-16-1-2-16/h3-6,11,16,22,26,33,35-36H,1-2,7-10,12-14H2,(H4,30,31,32)/t22-,26+,28+,29-/m1/s1
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0.490n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136119
PNG
(7-[4-aminobenzylamino(imino)methylamino]-22-cyclop...)
Show SMILES NC(NCc1ccc(N)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Show InChI InChI=1S/C34H36N6O3/c35-21-6-3-18(4-7-21)16-37-32(36)38-22-8-9-25-23(14-22)24-15-34(42)27-13-20-5-10-26(41)30-28(20)33(34,31(43-30)29(24)39-25)11-12-40(27)17-19-1-2-19/h3-10,14,19,27,31,39,41-42H,1-2,11-13,15-17,35H2,(H3,36,37,38)/t27?,31-,33-,34+/m0/s1
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0.630n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136114
PNG
(7-[4-chlorobenzylamino(imino)methylamino]-22-cyclo...)
Show SMILES NC(NCc1ccc(Cl)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Show InChI InChI=1S/C34H34ClN5O3/c35-21-6-3-18(4-7-21)16-37-32(36)38-22-8-9-25-23(14-22)24-15-34(42)27-13-20-5-10-26(41)30-28(20)33(34,31(43-30)29(24)39-25)11-12-40(27)17-19-1-2-19/h3-10,14,19,27,31,39,41-42H,1-2,11-13,15-17H2,(H3,36,37,38)/t27?,31-,33-,34+/m0/s1
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0.660n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136122
PNG
(7-benzylamino(imino)methylamino-22-cyclopropylmeth...)
Show SMILES NC(NCc1ccccc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:10.11,TLB:19:20:32:24.30.29,38:21:32:24.30.29|
Show InChI InChI=1S/C34H35N5O3/c35-32(36-17-19-4-2-1-3-5-19)37-22-9-10-25-23(15-22)24-16-34(41)27-14-21-8-11-26(40)30-28(21)33(34,31(42-30)29(24)38-25)12-13-39(27)18-20-6-7-20/h1-5,8-11,15,20,27,31,38,40-41H,6-7,12-14,16-18H2,(H3,35,36,37)/t27?,31-,33-,34+/m0/s1
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0.860n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136111
PNG
(7-{2-[4-aminobenzylamino(imino)methylamino]ethyl}-...)
Show SMILES Nc1ccc(CNC(=N)NCCc2ccc3[nH]c4[C@@H]5Oc6c7c(CC8N(CC9CC9)CC[C@@]57[C@@]8(O)Cc4c3c2)ccc6O)cc1 |TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Show InChI InChI=1S/C36H40N6O3/c37-24-7-3-21(4-8-24)18-40-34(38)39-13-11-20-5-9-27-25(15-20)26-17-36(44)29-16-23-6-10-28(43)32-30(23)35(36,33(45-32)31(26)41-27)12-14-42(29)19-22-1-2-22/h3-10,15,22,29,33,41,43-44H,1-2,11-14,16-19,37H2,(H3,38,39,40)/t29?,33-,35-,36+/m0/s1
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0.950n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136116
PNG
(7-[2-benzylamino(imino)methylaminoethyl]-22-cyclop...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(CCNC(=N)NCc4ccccc4)cc2c1C[C@@]35O |TLB:17:18:42:7.13.12,3:4:42:7.13.12|
Show InChI InChI=1S/C36H39N5O3/c37-34(39-19-22-4-2-1-3-5-22)38-14-12-21-8-10-27-25(16-21)26-18-36(43)29-17-24-9-11-28(42)32-30(24)35(36,33(44-32)31(26)40-27)13-15-41(29)20-23-6-7-23/h1-5,8-11,16,23,29,33,40,42-43H,6-7,12-15,17-20H2,(H3,37,38,39)/t29?,33-,35-,36+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136113
PNG
(22-cyclopropylmethyl-7-imino(4-nitrobenzylamino)me...)
Show SMILES N\C([N-]Cc1ccc(cc1)[N+]([O-])=O)=[NH+]/c1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46C7(O)Cc3c2c1)ccc5O |THB:36:35:23.24.25:27.33.32,28:27:35:23.24.25,22:23:35:27.33.32|
Show InChI InChI=1S/C34H33N6O5/c35-32(36-16-18-3-7-22(8-4-18)40(43)44)37-21-6-9-25-23(14-21)24-15-34(42)27-13-20-5-10-26(41)30-28(20)33(34,31(45-30)29(24)38-25)11-12-39(27)17-19-1-2-19/h3-10,14,19,27,31,38,42H,1-2,11-13,15-17H2,(H3-,35,36,37,41)/q-1/p+1
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1.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136115
PNG
(22-cyclopropylmethyl-7-[2-imino(4-nitrobenzylamino...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccc(CC[N-]C(=[NH2+])NCc4ccc(cc4)[N+]([O-])=O)cc2c1CC35O |TLB:46:45:18.4.5:7.13.12,THB:8:7:45:18.4.5,17:18:45:7.13.12|
Show InChI InChI=1S/C36H37N6O5/c37-34(39-18-21-3-7-24(8-4-21)42(45)46)38-13-11-20-5-9-27-25(15-20)26-17-36(44)29-16-23-6-10-28(43)32-30(23)35(36,33(47-32)31(26)40-27)12-14-41(29)19-22-1-2-22/h3-10,15,22,29,33,40,44H,1-2,11-14,16-19H2,(H3-,37,38,39,43)/q-1/p+1
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2.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136123
PNG
(22-cyclopropylmethyl-7-cyclopropylmethylamino(prop...)
Show SMILES CCCNC(NCC1CC1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:10.11,TLB:19:20:32:24.30.29,38:21:32:24.30.29|
Show InChI InChI=1S/C34H41N5O3/c1-2-12-35-32(36-17-19-3-4-19)37-22-8-9-25-23(15-22)24-16-34(41)27-14-21-7-10-26(40)30-28(21)33(34,31(42-30)29(24)38-25)11-13-39(27)18-20-5-6-20/h7-10,15,19-20,27,31,38,40-41H,2-6,11-14,16-18H2,1H3,(H2,35,36,37)/t27?,31-,33-,34+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136124
PNG
(7-{2-[4-chlorobenzylamino(imino)methylamino]ethyl}...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(CCNC(=N)NCc4ccc(Cl)cc4)cc2c1C[C@@]35O |TLB:17:18:43:7.13.12,3:4:43:7.13.12|
Show InChI InChI=1S/C36H38ClN5O3/c37-24-7-3-21(4-8-24)18-40-34(38)39-13-11-20-5-9-27-25(15-20)26-17-36(44)29-16-23-6-10-28(43)32-30(23)35(36,33(45-32)31(26)41-27)12-14-42(29)19-22-1-2-22/h3-10,15,22,29,33,41,43-44H,1-2,11-14,16-19H2,(H3,38,39,40)/t29?,33-,35-,36+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136118
PNG
(22-cyclopropylmethyl-7-[3-hydroxybenzylamino(imino...)
Show SMILES NC(NCc1cccc(O)c1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Show InChI InChI=1S/C34H35N5O4/c35-32(36-16-19-2-1-3-22(40)12-19)37-21-7-8-25-23(14-21)24-15-34(42)27-13-20-6-9-26(41)30-28(20)33(34,31(43-30)29(24)38-25)10-11-39(27)17-18-4-5-18/h1-3,6-9,12,14,18,27,31,38,40-42H,4-5,10-11,13,15-17H2,(H3,35,36,37)/t27?,31-,33-,34+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136125
PNG
(22-cyclopropylmethyl-7-propylamino(propylimino)met...)
Show SMILES CCCNC(NCCC)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |wU:31.35,wD:30.32,16.16,TLB:18:19:31:23.29.28,37:20:31:23.29.28,(7.91,-5,;6.6,-4.18,;6.65,-2.66,;5.34,-1.84,;5.4,-.29,;6.75,.42,;8.06,-.38,;9.41,.34,;10.72,-.47,;4.09,.51,;2.85,-.4,;3.06,-1.96,;1.83,-2.88,;.42,-2.29,;-.97,-2.95,;-2.03,-1.83,;-3.59,-1.85,;-5.1,-2.69,;-6.65,-1.92,;-5.92,-.57,;-6.72,.75,;-5.99,2.1,;-4.45,2.14,;-3.7,3.49,;-2.72,4.67,;-3.24,6.11,;-2.96,7.63,;-4.4,7.11,;-5.09,2.63,;-5.16,.81,;-4.38,-.54,;-3.63,.83,;-2.54,1.93,;-2.09,.86,;-1.3,-.47,;.23,-.75,;1.45,.18,;-8.25,.72,;-9,-.65,;-8.2,-1.97,;-8.94,-3.31,)|
Show InChI InChI=1S/C33H41N5O3/c1-3-12-34-31(35-13-4-2)36-21-8-9-24-22(16-21)23-17-33(40)26-15-20-7-10-25(39)29-27(20)32(33,30(41-29)28(23)37-24)11-14-38(26)18-19-5-6-19/h7-10,16,19,26,30,37,39-40H,3-6,11-15,17-18H2,1-2H3,(H2,34,35,36)/t26?,30-,32-,33+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136117
PNG
(22-cyclopropylmethyl-7-[4-hydroxybenzylamino(imino...)
Show SMILES NC(NCc1ccc(O)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Show InChI InChI=1S/C34H35N5O4/c35-32(36-16-18-3-7-22(40)8-4-18)37-21-6-9-25-23(14-21)24-15-34(42)27-13-20-5-10-26(41)30-28(20)33(34,31(43-30)29(24)38-25)11-12-39(27)17-19-1-2-19/h3-10,14,19,27,31,38,40-42H,1-2,11-13,15-17H2,(H3,35,36,37)/t27?,31-,33-,34+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136116
PNG
(7-[2-benzylamino(imino)methylaminoethyl]-22-cyclop...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(CCNC(=N)NCc4ccccc4)cc2c1C[C@@]35O |TLB:17:18:42:7.13.12,3:4:42:7.13.12|
Show InChI InChI=1S/C36H39N5O3/c37-34(39-19-22-4-2-1-3-5-22)38-14-12-21-8-10-27-25(16-21)26-18-36(43)29-17-24-9-11-28(42)32-30(24)35(36,33(44-32)31(26)40-27)13-15-41(29)20-23-6-7-23/h1-5,8-11,16,23,29,33,40,42-43H,6-7,12-15,17-20H2,(H3,37,38,39)/t29?,33-,35-,36+/m0/s1
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3.5n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136120
PNG
(7-benzylimino(cyclopropylmethylamino)methylamino-2...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(NC(NCC4CC4)=NCc4ccccc4)cc2c1C[C@@]35O |w:32.37,TLB:17:18:44:7.13.12,3:4:44:7.13.12|
Show InChI InChI=1S/C38H41N5O3/c44-30-13-10-25-16-31-38(45)18-28-27-17-26(41-36(40-20-23-6-7-23)39-19-22-4-2-1-3-5-22)11-12-29(27)42-33(28)35-37(38,32(25)34(30)46-35)14-15-43(31)21-24-8-9-24/h1-5,10-13,17,23-24,31,35,42,44-45H,6-9,14-16,18-21H2,(H2,39,40,41)/t31?,35-,37-,38+/m0/s1
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3.90n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136121
PNG
(7-[2-butylamino(butylimino)methylaminoethyl]-22-cy...)
Show SMILES CCCCNC(NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O)=NCCCC |w:40.48,TLB:17:18:30:22.28.27,36:19:30:22.28.27|
Show InChI InChI=1S/C37H49N5O3/c1-3-5-15-38-35(39-16-6-4-2)40-17-13-23-9-11-28-26(19-23)27-21-37(44)30-20-25-10-12-29(43)33-31(25)36(37,34(45-33)32(27)41-28)14-18-42(30)22-24-7-8-24/h9-12,19,24,30,34,41,43-44H,3-8,13-18,20-22H2,1-2H3,(H2,38,39,40)/t30?,34-,36-,37+/m0/s1
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4.80n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027093
PNG
(CHEMBL2112373)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(CCNC(N)=N)cc12)ccc3O |THB:10:9:17:4.5.6|
Show InChI InChI=1S/C29H33N5O3/c30-27(31)32-9-7-15-3-5-20-18(11-15)19-13-29(36)22-12-17-4-6-21(35)25-23(17)28(29,26(37-25)24(19)33-20)8-10-34(22)14-16-1-2-16/h3-6,11,16,22,26,33,35-36H,1-2,7-10,12-14H2,(H4,30,31,32)/t22-,26+,28+,29-/m1/s1
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4.90n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136111
PNG
(7-{2-[4-aminobenzylamino(imino)methylamino]ethyl}-...)
Show SMILES Nc1ccc(CNC(=N)NCCc2ccc3[nH]c4[C@@H]5Oc6c7c(CC8N(CC9CC9)CC[C@@]57[C@@]8(O)Cc4c3c2)ccc6O)cc1 |TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Show InChI InChI=1S/C36H40N6O3/c37-24-7-3-21(4-8-24)18-40-34(38)39-13-11-20-5-9-27-25(15-20)26-17-36(44)29-16-23-6-10-28(43)32-30(23)35(36,33(45-32)31(26)41-27)12-14-42(29)19-22-1-2-22/h3-10,15,22,29,33,41,43-44H,1-2,11-14,16-19,37H2,(H3,38,39,40)/t29?,33-,35-,36+/m0/s1
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5.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027093
PNG
(CHEMBL2112373)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(CCNC(N)=N)cc12)ccc3O |THB:10:9:17:4.5.6|
Show InChI InChI=1S/C29H33N5O3/c30-27(31)32-9-7-15-3-5-20-18(11-15)19-13-29(36)22-12-17-4-6-21(35)25-23(17)28(29,26(37-25)24(19)33-20)8-10-34(22)14-16-1-2-16/h3-6,11,16,22,26,33,35-36H,1-2,7-10,12-14H2,(H4,30,31,32)/t22-,26+,28+,29-/m1/s1
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5.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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5.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136121
PNG
(7-[2-butylamino(butylimino)methylaminoethyl]-22-cy...)
Show SMILES CCCCNC(NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O)=NCCCC |w:40.48,TLB:17:18:30:22.28.27,36:19:30:22.28.27|
Show InChI InChI=1S/C37H49N5O3/c1-3-5-15-38-35(39-16-6-4-2)40-17-13-23-9-11-28-26(19-23)27-21-37(44)30-20-25-10-12-29(43)33-31(25)36(37,34(45-33)32(27)41-28)14-18-42(30)22-24-7-8-24/h9-12,19,24,30,34,41,43-44H,3-8,13-18,20-22H2,1-2H3,(H2,38,39,40)/t30?,34-,36-,37+/m0/s1
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6.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136110
PNG
(7-butylamino(butylimino)methylamino-22-cyclopropyl...)
Show SMILES CCCCNC(NCCCC)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |wU:33.37,wD:32.34,18.18,TLB:20:21:33:25.31.30,39:22:33:25.31.30,(11.8,-7.29,;11.85,-5.76,;10.54,-4.94,;10.59,-3.4,;9.28,-2.59,;9.35,-1.06,;10.7,-.33,;12.01,-1.14,;13.36,-.4,;14.67,-1.24,;16.02,-.51,;8.04,-.24,;6.81,-1.17,;7.01,-2.71,;5.79,-3.64,;4.37,-3.04,;2.98,-3.71,;1.92,-2.57,;.37,-2.59,;-1.14,-3.45,;-2.7,-2.68,;-1.95,-1.33,;-2.77,-.01,;-2.03,1.34,;-.48,1.39,;.26,2.74,;1.24,3.91,;.72,5.35,;1.01,6.87,;-.43,6.35,;-1.13,1.88,;-1.2,.05,;-.42,-1.29,;.33,.07,;1.41,1.17,;1.87,.11,;2.66,-1.22,;4.18,-1.51,;5.39,-.58,;-4.29,-.05,;-5.03,-1.41,;-4.23,-2.71,;-4.98,-4.06,)|
Show InChI InChI=1S/C35H45N5O3/c1-3-5-14-36-33(37-15-6-4-2)38-23-10-11-26-24(18-23)25-19-35(42)28-17-22-9-12-27(41)31-29(22)34(35,32(43-31)30(25)39-26)13-16-40(28)20-21-7-8-21/h9-12,18,21,28,32,39,41-42H,3-8,13-17,19-20H2,1-2H3,(H2,36,37,38)/t28?,32-,34-,35+/m0/s1
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7n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136116
PNG
(7-[2-benzylamino(imino)methylaminoethyl]-22-cyclop...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(CCNC(=N)NCc4ccccc4)cc2c1C[C@@]35O |TLB:17:18:42:7.13.12,3:4:42:7.13.12|
Show InChI InChI=1S/C36H39N5O3/c37-34(39-19-22-4-2-1-3-5-22)38-14-12-21-8-10-27-25(16-21)26-18-36(43)29-17-24-9-11-28(42)32-30(24)35(36,33(44-32)31(26)40-27)13-15-41(29)20-23-6-7-23/h1-5,8-11,16,23,29,33,40,42-43H,6-7,12-15,17-20H2,(H3,37,38,39)/t29?,33-,35-,36+/m0/s1
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7.20n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136124
PNG
(7-{2-[4-chlorobenzylamino(imino)methylamino]ethyl}...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(CCNC(=N)NCc4ccc(Cl)cc4)cc2c1C[C@@]35O |TLB:17:18:43:7.13.12,3:4:43:7.13.12|
Show InChI InChI=1S/C36H38ClN5O3/c37-24-7-3-21(4-8-24)18-40-34(38)39-13-11-20-5-9-27-25(15-20)26-17-36(44)29-16-23-6-10-28(43)32-30(23)35(36,33(45-32)31(26)41-27)12-14-42(29)19-22-1-2-22/h3-10,15,22,29,33,41,43-44H,1-2,11-14,16-19H2,(H3,38,39,40)/t29?,33-,35-,36+/m0/s1
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7.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136111
PNG
(7-{2-[4-aminobenzylamino(imino)methylamino]ethyl}-...)
Show SMILES Nc1ccc(CNC(=N)NCCc2ccc3[nH]c4[C@@H]5Oc6c7c(CC8N(CC9CC9)CC[C@@]57[C@@]8(O)Cc4c3c2)ccc6O)cc1 |TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Show InChI InChI=1S/C36H40N6O3/c37-24-7-3-21(4-8-24)18-40-34(38)39-13-11-20-5-9-27-25(15-20)26-17-36(44)29-16-23-6-10-28(43)32-30(23)35(36,33(45-32)31(26)41-27)12-14-42(29)19-22-1-2-22/h3-10,15,22,29,33,41,43-44H,1-2,11-14,16-19,37H2,(H3,38,39,40)/t29?,33-,35-,36+/m0/s1
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7.80n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136121
PNG
(7-[2-butylamino(butylimino)methylaminoethyl]-22-cy...)
Show SMILES CCCCNC(NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O)=NCCCC |w:40.48,TLB:17:18:30:22.28.27,36:19:30:22.28.27|
Show InChI InChI=1S/C37H49N5O3/c1-3-5-15-38-35(39-16-6-4-2)40-17-13-23-9-11-28-26(19-23)27-21-37(44)30-20-25-10-12-29(43)33-31(25)36(37,34(45-33)32(27)41-28)14-18-42(30)22-24-7-8-24/h9-12,19,24,30,34,41,43-44H,3-8,13-18,20-22H2,1-2H3,(H2,38,39,40)/t30?,34-,36-,37+/m0/s1
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7.90n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136119
PNG
(7-[4-aminobenzylamino(imino)methylamino]-22-cyclop...)
Show SMILES NC(NCc1ccc(N)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Show InChI InChI=1S/C34H36N6O3/c35-21-6-3-18(4-7-21)16-37-32(36)38-22-8-9-25-23(14-22)24-15-34(42)27-13-20-5-10-26(41)30-28(20)33(34,31(43-30)29(24)39-25)11-12-40(27)17-19-1-2-19/h3-10,14,19,27,31,39,41-42H,1-2,11-13,15-17,35H2,(H3,36,37,38)/t27?,31-,33-,34+/m0/s1
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7.90n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136125
PNG
(22-cyclopropylmethyl-7-propylamino(propylimino)met...)
Show SMILES CCCNC(NCCC)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |wU:31.35,wD:30.32,16.16,TLB:18:19:31:23.29.28,37:20:31:23.29.28,(7.91,-5,;6.6,-4.18,;6.65,-2.66,;5.34,-1.84,;5.4,-.29,;6.75,.42,;8.06,-.38,;9.41,.34,;10.72,-.47,;4.09,.51,;2.85,-.4,;3.06,-1.96,;1.83,-2.88,;.42,-2.29,;-.97,-2.95,;-2.03,-1.83,;-3.59,-1.85,;-5.1,-2.69,;-6.65,-1.92,;-5.92,-.57,;-6.72,.75,;-5.99,2.1,;-4.45,2.14,;-3.7,3.49,;-2.72,4.67,;-3.24,6.11,;-2.96,7.63,;-4.4,7.11,;-5.09,2.63,;-5.16,.81,;-4.38,-.54,;-3.63,.83,;-2.54,1.93,;-2.09,.86,;-1.3,-.47,;.23,-.75,;1.45,.18,;-8.25,.72,;-9,-.65,;-8.2,-1.97,;-8.94,-3.31,)|
Show InChI InChI=1S/C33H41N5O3/c1-3-12-34-31(35-13-4-2)36-21-8-9-24-22(16-21)23-17-33(40)26-15-20-7-10-25(39)29-27(20)32(33,30(41-29)28(23)37-24)11-14-38(26)18-19-5-6-19/h7-10,16,19,26,30,37,39-40H,3-6,11-15,17-18H2,1-2H3,(H2,34,35,36)/t26?,30-,32-,33+/m0/s1
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8.5n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136115
PNG
(22-cyclopropylmethyl-7-[2-imino(4-nitrobenzylamino...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccc(CC[N-]C(=[NH2+])NCc4ccc(cc4)[N+]([O-])=O)cc2c1CC35O |TLB:46:45:18.4.5:7.13.12,THB:8:7:45:18.4.5,17:18:45:7.13.12|
Show InChI InChI=1S/C36H37N6O5/c37-34(39-18-21-3-7-24(8-4-21)42(45)46)38-13-11-20-5-9-27-25(15-20)26-17-36(44)29-16-23-6-10-28(43)32-30(23)35(36,33(47-32)31(26)40-27)12-14-41(29)19-22-1-2-22/h3-10,15,22,29,33,40,44H,1-2,11-14,16-19H2,(H3-,37,38,39,43)/q-1/p+1
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9.20n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136125
PNG
(22-cyclopropylmethyl-7-propylamino(propylimino)met...)
Show SMILES CCCNC(NCCC)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |wU:31.35,wD:30.32,16.16,TLB:18:19:31:23.29.28,37:20:31:23.29.28,(7.91,-5,;6.6,-4.18,;6.65,-2.66,;5.34,-1.84,;5.4,-.29,;6.75,.42,;8.06,-.38,;9.41,.34,;10.72,-.47,;4.09,.51,;2.85,-.4,;3.06,-1.96,;1.83,-2.88,;.42,-2.29,;-.97,-2.95,;-2.03,-1.83,;-3.59,-1.85,;-5.1,-2.69,;-6.65,-1.92,;-5.92,-.57,;-6.72,.75,;-5.99,2.1,;-4.45,2.14,;-3.7,3.49,;-2.72,4.67,;-3.24,6.11,;-2.96,7.63,;-4.4,7.11,;-5.09,2.63,;-5.16,.81,;-4.38,-.54,;-3.63,.83,;-2.54,1.93,;-2.09,.86,;-1.3,-.47,;.23,-.75,;1.45,.18,;-8.25,.72,;-9,-.65,;-8.2,-1.97,;-8.94,-3.31,)|
Show InChI InChI=1S/C33H41N5O3/c1-3-12-34-31(35-13-4-2)36-21-8-9-24-22(16-21)23-17-33(40)26-15-20-7-10-25(39)29-27(20)32(33,30(41-29)28(23)37-24)11-14-38(26)18-19-5-6-19/h7-10,16,19,26,30,37,39-40H,3-6,11-15,17-18H2,1-2H3,(H2,34,35,36)/t26?,30-,32-,33+/m0/s1
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9.80n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136122
PNG
(7-benzylamino(imino)methylamino-22-cyclopropylmeth...)
Show SMILES NC(NCc1ccccc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:10.11,TLB:19:20:32:24.30.29,38:21:32:24.30.29|
Show InChI InChI=1S/C34H35N5O3/c35-32(36-17-19-4-2-1-3-5-19)37-22-9-10-25-23(15-22)24-16-34(41)27-14-21-8-11-26(40)30-28(21)33(34,31(42-30)29(24)38-25)12-13-39(27)18-20-6-7-20/h1-5,8-11,15,20,27,31,38,40-41H,6-7,12-14,16-18H2,(H3,35,36,37)/t27?,31-,33-,34+/m0/s1
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10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136115
PNG
(22-cyclopropylmethyl-7-[2-imino(4-nitrobenzylamino...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccc(CC[N-]C(=[NH2+])NCc4ccc(cc4)[N+]([O-])=O)cc2c1CC35O |TLB:46:45:18.4.5:7.13.12,THB:8:7:45:18.4.5,17:18:45:7.13.12|
Show InChI InChI=1S/C36H37N6O5/c37-34(39-18-21-3-7-24(8-4-21)42(45)46)38-13-11-20-5-9-27-25(15-20)26-17-36(44)29-16-23-6-10-28(43)32-30(23)35(36,33(47-32)31(26)40-27)12-14-41(29)19-22-1-2-22/h3-10,15,22,29,33,40,44H,1-2,11-14,16-19H2,(H3-,37,38,39,43)/q-1/p+1
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12n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136118
PNG
(22-cyclopropylmethyl-7-[3-hydroxybenzylamino(imino...)
Show SMILES NC(NCc1cccc(O)c1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Show InChI InChI=1S/C34H35N5O4/c35-32(36-16-19-2-1-3-22(40)12-19)37-21-7-8-25-23(14-21)24-15-34(42)27-13-20-6-9-26(41)30-28(20)33(34,31(43-30)29(24)38-25)10-11-39(27)17-18-4-5-18/h1-3,6-9,12,14,18,27,31,38,40-42H,4-5,10-11,13,15-17H2,(H3,35,36,37)/t27?,31-,33-,34+/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136117
PNG
(22-cyclopropylmethyl-7-[4-hydroxybenzylamino(imino...)
Show SMILES NC(NCc1ccc(O)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Show InChI InChI=1S/C34H35N5O4/c35-32(36-16-18-3-7-22(40)8-4-18)37-21-6-9-25-23(14-21)24-15-34(42)27-13-20-5-10-26(41)30-28(20)33(34,31(43-30)29(24)38-25)11-12-39(27)17-19-1-2-19/h3-10,14,19,27,31,38,40-42H,1-2,11-13,15-17H2,(H3,35,36,37)/t27?,31-,33-,34+/m0/s1
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15n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136110
PNG
(7-butylamino(butylimino)methylamino-22-cyclopropyl...)
Show SMILES CCCCNC(NCCCC)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |wU:33.37,wD:32.34,18.18,TLB:20:21:33:25.31.30,39:22:33:25.31.30,(11.8,-7.29,;11.85,-5.76,;10.54,-4.94,;10.59,-3.4,;9.28,-2.59,;9.35,-1.06,;10.7,-.33,;12.01,-1.14,;13.36,-.4,;14.67,-1.24,;16.02,-.51,;8.04,-.24,;6.81,-1.17,;7.01,-2.71,;5.79,-3.64,;4.37,-3.04,;2.98,-3.71,;1.92,-2.57,;.37,-2.59,;-1.14,-3.45,;-2.7,-2.68,;-1.95,-1.33,;-2.77,-.01,;-2.03,1.34,;-.48,1.39,;.26,2.74,;1.24,3.91,;.72,5.35,;1.01,6.87,;-.43,6.35,;-1.13,1.88,;-1.2,.05,;-.42,-1.29,;.33,.07,;1.41,1.17,;1.87,.11,;2.66,-1.22,;4.18,-1.51,;5.39,-.58,;-4.29,-.05,;-5.03,-1.41,;-4.23,-2.71,;-4.98,-4.06,)|
Show InChI InChI=1S/C35H45N5O3/c1-3-5-14-36-33(37-15-6-4-2)38-23-10-11-26-24(18-23)25-19-35(42)28-17-22-9-12-27(41)31-29(22)34(35,32(43-31)30(25)39-26)13-16-40(28)20-21-7-8-21/h9-12,18,21,28,32,39,41-42H,3-8,13-17,19-20H2,1-2H3,(H2,36,37,38)/t28?,32-,34-,35+/m0/s1
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15n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136123
PNG
(22-cyclopropylmethyl-7-cyclopropylmethylamino(prop...)
Show SMILES CCCNC(NCC1CC1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:10.11,TLB:19:20:32:24.30.29,38:21:32:24.30.29|
Show InChI InChI=1S/C34H41N5O3/c1-2-12-35-32(36-17-19-3-4-19)37-22-8-9-25-23(15-22)24-16-34(41)27-14-21-7-10-26(40)30-28(21)33(34,31(42-30)29(24)38-25)11-13-39(27)18-20-5-6-20/h7-10,15,19-20,27,31,38,40-41H,2-6,11-14,16-18H2,1H3,(H2,35,36,37)/t27?,31-,33-,34+/m0/s1
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15n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136110
PNG
(7-butylamino(butylimino)methylamino-22-cyclopropyl...)
Show SMILES CCCCNC(NCCCC)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |wU:33.37,wD:32.34,18.18,TLB:20:21:33:25.31.30,39:22:33:25.31.30,(11.8,-7.29,;11.85,-5.76,;10.54,-4.94,;10.59,-3.4,;9.28,-2.59,;9.35,-1.06,;10.7,-.33,;12.01,-1.14,;13.36,-.4,;14.67,-1.24,;16.02,-.51,;8.04,-.24,;6.81,-1.17,;7.01,-2.71,;5.79,-3.64,;4.37,-3.04,;2.98,-3.71,;1.92,-2.57,;.37,-2.59,;-1.14,-3.45,;-2.7,-2.68,;-1.95,-1.33,;-2.77,-.01,;-2.03,1.34,;-.48,1.39,;.26,2.74,;1.24,3.91,;.72,5.35,;1.01,6.87,;-.43,6.35,;-1.13,1.88,;-1.2,.05,;-.42,-1.29,;.33,.07,;1.41,1.17,;1.87,.11,;2.66,-1.22,;4.18,-1.51,;5.39,-.58,;-4.29,-.05,;-5.03,-1.41,;-4.23,-2.71,;-4.98,-4.06,)|
Show InChI InChI=1S/C35H45N5O3/c1-3-5-14-36-33(37-15-6-4-2)38-23-10-11-26-24(18-23)25-19-35(42)28-17-22-9-12-27(41)31-29(22)34(35,32(43-31)30(25)39-26)13-16-40(28)20-21-7-8-21/h9-12,18,21,28,32,39,41-42H,3-8,13-17,19-20H2,1-2H3,(H2,36,37,38)/t28?,32-,34-,35+/m0/s1
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18n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136120
PNG
(7-benzylimino(cyclopropylmethylamino)methylamino-2...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(NC(NCC4CC4)=NCc4ccccc4)cc2c1C[C@@]35O |w:32.37,TLB:17:18:44:7.13.12,3:4:44:7.13.12|
Show InChI InChI=1S/C38H41N5O3/c44-30-13-10-25-16-31-38(45)18-28-27-17-26(41-36(40-20-23-6-7-23)39-19-22-4-2-1-3-5-22)11-12-29(27)42-33(28)35-37(38,32(25)34(30)46-35)14-15-43(31)21-24-8-9-24/h1-5,10-13,17,23-24,31,35,42,44-45H,6-9,14-16,18-21H2,(H2,39,40,41)/t31?,35-,37-,38+/m0/s1
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18n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136118
PNG
(22-cyclopropylmethyl-7-[3-hydroxybenzylamino(imino...)
Show SMILES NC(NCc1cccc(O)c1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Show InChI InChI=1S/C34H35N5O4/c35-32(36-16-19-2-1-3-22(40)12-19)37-21-7-8-25-23(14-21)24-15-34(42)27-13-20-6-9-26(41)30-28(20)33(34,31(43-30)29(24)38-25)10-11-39(27)17-18-4-5-18/h1-3,6-9,12,14,18,27,31,38,40-42H,4-5,10-11,13,15-17H2,(H3,35,36,37)/t27?,31-,33-,34+/m0/s1
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18n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136120
PNG
(7-benzylimino(cyclopropylmethylamino)methylamino-2...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(NC(NCC4CC4)=NCc4ccccc4)cc2c1C[C@@]35O |w:32.37,TLB:17:18:44:7.13.12,3:4:44:7.13.12|
Show InChI InChI=1S/C38H41N5O3/c44-30-13-10-25-16-31-38(45)18-28-27-17-26(41-36(40-20-23-6-7-23)39-19-22-4-2-1-3-5-22)11-12-29(27)42-33(28)35-37(38,32(25)34(30)46-35)14-15-43(31)21-24-8-9-24/h1-5,10-13,17,23-24,31,35,42,44-45H,6-9,14-16,18-21H2,(H2,39,40,41)/t31?,35-,37-,38+/m0/s1
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18n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136124
PNG
(7-{2-[4-chlorobenzylamino(imino)methylamino]ethyl}...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(CCNC(=N)NCc4ccc(Cl)cc4)cc2c1C[C@@]35O |TLB:17:18:43:7.13.12,3:4:43:7.13.12|
Show InChI InChI=1S/C36H38ClN5O3/c37-24-7-3-21(4-8-24)18-40-34(38)39-13-11-20-5-9-27-25(15-20)26-17-36(44)29-16-23-6-10-28(43)32-30(23)35(36,33(45-32)31(26)41-27)12-14-42(29)19-22-1-2-22/h3-10,15,22,29,33,41,43-44H,1-2,11-14,16-19H2,(H3,38,39,40)/t29?,33-,35-,36+/m0/s1
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19n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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21n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136123
PNG
(22-cyclopropylmethyl-7-cyclopropylmethylamino(prop...)
Show SMILES CCCNC(NCC1CC1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:10.11,TLB:19:20:32:24.30.29,38:21:32:24.30.29|
Show InChI InChI=1S/C34H41N5O3/c1-2-12-35-32(36-17-19-3-4-19)37-22-8-9-25-23(15-22)24-16-34(41)27-14-21-7-10-26(40)30-28(21)33(34,31(42-30)29(24)38-25)11-13-39(27)18-20-5-6-20/h7-10,15,19-20,27,31,38,40-41H,2-6,11-14,16-18H2,1H3,(H2,35,36,37)/t27?,31-,33-,34+/m0/s1
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22n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136119
PNG
(7-[4-aminobenzylamino(imino)methylamino]-22-cyclop...)
Show SMILES NC(NCc1ccc(N)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Show InChI InChI=1S/C34H36N6O3/c35-21-6-3-18(4-7-21)16-37-32(36)38-22-8-9-25-23(14-22)24-15-34(42)27-13-20-5-10-26(41)30-28(20)33(34,31(43-30)29(24)39-25)11-12-40(27)17-19-1-2-19/h3-10,14,19,27,31,39,41-42H,1-2,11-13,15-17,35H2,(H3,36,37,38)/t27?,31-,33-,34+/m0/s1
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24n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136113
PNG
(22-cyclopropylmethyl-7-imino(4-nitrobenzylamino)me...)
Show SMILES N\C([N-]Cc1ccc(cc1)[N+]([O-])=O)=[NH+]/c1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46C7(O)Cc3c2c1)ccc5O |THB:36:35:23.24.25:27.33.32,28:27:35:23.24.25,22:23:35:27.33.32|
Show InChI InChI=1S/C34H33N6O5/c35-32(36-16-18-3-7-22(8-4-18)40(43)44)37-21-6-9-25-23(14-21)24-15-34(42)27-13-20-5-10-26(41)30-28(20)33(34,31(45-30)29(24)38-25)11-12-39(27)17-19-1-2-19/h3-10,14,19,27,31,38,42H,1-2,11-13,15-17H2,(H3-,35,36,37,41)/q-1/p+1
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26n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136122
PNG
(7-benzylamino(imino)methylamino-22-cyclopropylmeth...)
Show SMILES NC(NCc1ccccc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:10.11,TLB:19:20:32:24.30.29,38:21:32:24.30.29|
Show InChI InChI=1S/C34H35N5O3/c35-32(36-17-19-4-2-1-3-5-19)37-22-9-10-25-23(15-22)24-16-34(41)27-14-21-8-11-26(40)30-28(21)33(34,31(42-30)29(24)38-25)12-13-39(27)18-20-6-7-20/h1-5,8-11,15,20,27,31,38,40-41H,6-7,12-14,16-18H2,(H3,35,36,37)/t27?,31-,33-,34+/m0/s1
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27n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136114
PNG
(7-[4-chlorobenzylamino(imino)methylamino]-22-cyclo...)
Show SMILES NC(NCc1ccc(Cl)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Show InChI InChI=1S/C34H34ClN5O3/c35-21-6-3-18(4-7-21)16-37-32(36)38-22-8-9-25-23(14-22)24-15-34(42)27-13-20-5-10-26(41)30-28(20)33(34,31(43-30)29(24)39-25)11-12-40(27)17-19-1-2-19/h3-10,14,19,27,31,39,41-42H,1-2,11-13,15-17H2,(H3,36,37,38)/t27?,31-,33-,34+/m0/s1
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30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027094
PNG
(CHEMBL2112374)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(CNC(N)=N)cc12)ccc3O |THB:10:9:17:4.5.6|
Show InChI InChI=1S/C28H31N5O3/c29-26(30)31-12-15-3-5-19-17(9-15)18-11-28(35)21-10-16-4-6-20(34)24-22(16)27(28,25(36-24)23(18)32-19)7-8-33(21)13-14-1-2-14/h3-6,9,14,21,25,32,34-35H,1-2,7-8,10-13H2,(H4,29,30,31)/t21-,25+,27+,28-/m1/s1
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37n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136117
PNG
(22-cyclopropylmethyl-7-[4-hydroxybenzylamino(imino...)
Show SMILES NC(NCc1ccc(O)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Show InChI InChI=1S/C34H35N5O4/c35-32(36-16-18-3-7-22(40)8-4-18)37-21-6-9-25-23(14-21)24-15-34(42)27-13-20-5-10-26(41)30-28(20)33(34,31(43-30)29(24)38-25)11-12-39(27)17-19-1-2-19/h3-10,14,19,27,31,38,40-42H,1-2,11-13,15-17H2,(H3,35,36,37)/t27?,31-,33-,34+/m0/s1
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42n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027094
PNG
(CHEMBL2112374)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(CNC(N)=N)cc12)ccc3O |THB:10:9:17:4.5.6|
Show InChI InChI=1S/C28H31N5O3/c29-26(30)31-12-15-3-5-19-17(9-15)18-11-28(35)21-10-16-4-6-20(34)24-22(16)27(28,25(36-24)23(18)32-19)7-8-33(21)13-14-1-2-14/h3-6,9,14,21,25,32,34-35H,1-2,7-8,10-13H2,(H4,29,30,31)/t21-,25+,27+,28-/m1/s1
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70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136114
PNG
(7-[4-chlorobenzylamino(imino)methylamino]-22-cyclo...)
Show SMILES NC(NCc1ccc(Cl)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Show InChI InChI=1S/C34H34ClN5O3/c35-21-6-3-18(4-7-21)16-37-32(36)38-22-8-9-25-23(14-22)24-15-34(42)27-13-20-5-10-26(41)30-28(20)33(34,31(43-30)29(24)39-25)11-12-40(27)17-19-1-2-19/h3-10,14,19,27,31,39,41-42H,1-2,11-13,15-17H2,(H3,36,37,38)/t27?,31-,33-,34+/m0/s1
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85n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136113
PNG
(22-cyclopropylmethyl-7-imino(4-nitrobenzylamino)me...)
Show SMILES N\C([N-]Cc1ccc(cc1)[N+]([O-])=O)=[NH+]/c1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46C7(O)Cc3c2c1)ccc5O |THB:36:35:23.24.25:27.33.32,28:27:35:23.24.25,22:23:35:27.33.32|
Show InChI InChI=1S/C34H33N6O5/c35-32(36-16-18-3-7-22(8-4-18)40(43)44)37-21-6-9-25-23(14-21)24-15-34(42)27-13-20-5-10-26(41)30-28(20)33(34,31(45-30)29(24)38-25)11-12-39(27)17-19-1-2-19/h3-10,14,19,27,31,38,42H,1-2,11-13,15-17H2,(H3-,35,36,37,41)/q-1/p+1
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96n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%