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PubMed code 12519069

Compile data set for download or QSAR
Found 60 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))
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
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122859
PNG
(22-cyclopropylmethyl-7-[2-(1-iminobutylamino)ethyl...)
Show SMILES CCCC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
Show InChI InChI=1S/C32H38N4O3/c1-2-3-26(33)34-12-10-18-6-8-23-21(14-18)22-16-32(38)25-15-20-7-9-24(37)29-27(20)31(32,30(39-29)28(22)35-23)11-13-36(25)17-19-4-5-19/h6-9,14,19,25,30,35,37-38H,2-5,10-13,15-17H2,1H3,(H2,33,34)/t25?,30-,31-,32+/m0/s1
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0.25n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122869
PNG
(22-cyclopropylmethyl-7-[2-(1-iminopropylamino)ethy...)
Show SMILES CCC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:15:16:28:20.26.25,34:17:28:20.26.25|
Show InChI InChI=1S/C31H36N4O3/c1-2-25(32)33-11-9-17-5-7-22-20(13-17)21-15-31(37)24-14-19-6-8-23(36)28-26(19)30(31,29(38-28)27(21)34-22)10-12-35(24)16-18-3-4-18/h5-8,13,18,24,29,34,36-37H,2-4,9-12,14-16H2,1H3,(H2,32,33)/t24?,29-,30-,31+/m0/s1
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0.280n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122862
PNG
(22-cyclopropylmethyl-7-[2-(1-iminoethylamino)ethyl...)
Show SMILES CC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:14:15:27:19.25.24,33:16:27:19.25.24|
Show InChI InChI=1S/C30H34N4O3/c1-16(31)32-10-8-17-4-6-22-20(12-17)21-14-30(36)24-13-19-5-7-23(35)27-25(19)29(30,28(37-27)26(21)33-22)9-11-34(24)15-18-2-3-18/h4-7,12,18,24,28,33,35-36H,2-3,8-11,13-15H2,1H3,(H2,31,32)/t24?,28-,29-,30+/m0/s1
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0.290n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122863
PNG
(22-cyclopropylmethyl-7-[2-(1-iminopentylamino)ethy...)
Show SMILES CCCCC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
Show InChI InChI=1S/C33H40N4O3/c1-2-3-4-27(34)35-13-11-19-7-9-24-22(15-19)23-17-33(39)26-16-21-8-10-25(38)30-28(21)32(33,31(40-30)29(23)36-24)12-14-37(26)18-20-5-6-20/h7-10,15,20,26,31,36,38-39H,2-6,11-14,16-18H2,1H3,(H2,34,35)/t26?,31-,32-,33+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122855
PNG
(1N-{2-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES CCCCC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
Show InChI InChI=1S/C33H39N3O4/c1-2-3-4-27(38)34-13-11-19-7-9-24-22(15-19)23-17-33(39)26-16-21-8-10-25(37)30-28(21)32(33,31(40-30)29(23)35-24)12-14-36(26)18-20-5-6-20/h7-10,15,20,26,31,35,37,39H,2-6,11-14,16-18H2,1H3,(H,34,38)/t26?,31-,32-,33+/m0/s1
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0.680n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122852
PNG
(1N-{2-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES CCCC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
Show InChI InChI=1S/C32H37N3O4/c1-2-3-26(37)33-12-10-18-6-8-23-21(14-18)22-16-32(38)25-15-20-7-9-24(36)29-27(20)31(32,30(39-29)28(22)34-23)11-13-35(25)17-19-4-5-19/h6-9,14,19,25,30,34,36,38H,2-5,10-13,15-17H2,1H3,(H,33,37)/t25?,30-,31-,32+/m0/s1
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0.850n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122856
PNG
(22-cyclopropylmethyl-7-(2-imino-2-pentylaminoethyl...)
Show SMILES CCCCCNC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
Show InChI InChI=1S/C33H40N4O3/c1-2-3-4-12-35-27(34)15-20-7-9-24-22(14-20)23-17-33(39)26-16-21-8-10-25(38)30-28(21)32(33,31(40-30)29(23)36-24)11-13-37(26)18-19-5-6-19/h7-10,14,19,26,31,36,38-39H,2-6,11-13,15-18H2,1H3,(H2,34,35)/t26?,31-,32-,33+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122865
PNG
(22-cyclopropylmethyl-7-[2-(1-imino-3-methylbutylam...)
Show SMILES CC(C)CC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
Show InChI InChI=1S/C33H40N4O3/c1-18(2)13-27(34)35-11-9-19-5-7-24-22(14-19)23-16-33(39)26-15-21-6-8-25(38)30-28(21)32(33,31(40-30)29(23)36-24)10-12-37(26)17-20-3-4-20/h5-8,14,18,20,26,31,36,38-39H,3-4,9-13,15-17H2,1-2H3,(H2,34,35)/t26?,31-,32-,33+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122860
PNG
(1N-{2-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES CCC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:15:16:28:20.26.25,34:17:28:20.26.25|
Show InChI InChI=1S/C31H35N3O4/c1-2-25(36)32-11-9-17-5-7-22-20(13-17)21-15-31(37)24-14-19-6-8-23(35)28-26(19)30(31,29(38-28)27(21)33-22)10-12-34(24)16-18-3-4-18/h5-8,13,18,24,29,33,35,37H,2-4,9-12,14-16H2,1H3,(H,32,36)/t24?,29-,30-,31+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122864
PNG
(22-cyclopropylmethyl-7-(2-imino-2-propylaminoethyl...)
Show SMILES CCCNC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:15:16:28:20.26.25,34:17:28:20.26.25|
Show InChI InChI=1S/C31H36N4O3/c1-2-10-33-25(32)13-18-5-7-22-20(12-18)21-15-31(37)24-14-19-6-8-23(36)28-26(19)30(31,29(38-28)27(21)34-22)9-11-35(24)16-17-3-4-17/h5-8,12,17,24,29,34,36-37H,2-4,9-11,13-16H2,1H3,(H2,32,33)/t24?,29-,30-,31+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122851
PNG
(7N-(4-methoxybenzyl)-22-cyclopropylmethyl-2,16-dih...)
Show SMILES COc1ccc(CNC(=O)c2ccc3[nH]c4[C@@H]5Oc6c7c(CC8N(CC9CC9)CC[C@@]57[C@@]8(O)Cc4c3c2)ccc6O)cc1 |TLB:18:19:31:23.29.28,37:20:31:23.29.28|
Show InChI InChI=1S/C35H35N3O5/c1-42-23-8-4-19(5-9-23)17-36-33(40)22-6-10-26-24(14-22)25-16-35(41)28-15-21-7-11-27(39)31-29(21)34(35,32(43-31)30(25)37-26)12-13-38(28)18-20-2-3-20/h4-11,14,20,28,32,37,39,41H,2-3,12-13,15-18H2,1H3,(H,36,40)/t28?,32-,34-,35+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122853
PNG
(7N-phenethyl-22-cyclopropylmethyl-2,16-dihydroxy-1...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12|
Show InChI InChI=1S/C35H35N3O4/c39-27-11-9-22-17-28-35(41)18-25-24-16-23(33(40)36-14-12-20-4-2-1-3-5-20)8-10-26(24)37-30(25)32-34(35,29(22)31(27)42-32)13-15-38(28)19-21-6-7-21/h1-5,8-11,16,21,28,32,37,39,41H,6-7,12-15,17-19H2,(H,36,40)/t28?,32-,34-,35+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122857
PNG
(22-cyclopropylmethyl-7-(6-hexylaminocarbonylaminoe...)
Show SMILES CCCCCCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Show InChI InChI=1S/C35H44N4O4/c1-2-3-4-5-14-36-33(41)37-15-12-21-8-10-26-24(17-21)25-19-35(42)28-18-23-9-11-27(40)31-29(23)34(35,32(43-31)30(25)38-26)13-16-39(28)20-22-6-7-22/h8-11,17,22,28,32,38,40,42H,2-7,12-16,18-20H2,1H3,(H2,36,37,41)/t28?,32-,34-,35+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122861
PNG
(22-cyclopropylmethyl-7-(2-ethylaminocarbonylaminoe...)
Show SMILES CCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
Show InChI InChI=1S/C31H36N4O4/c1-2-32-29(37)33-11-9-17-5-7-22-20(13-17)21-15-31(38)24-14-19-6-8-23(36)27-25(19)30(31,28(39-27)26(21)34-22)10-12-35(24)16-18-3-4-18/h5-8,13,18,24,28,34,36,38H,2-4,9-12,14-16H2,1H3,(H2,32,33,37)/t24?,28-,30-,31+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122866
PNG
(22-cyclopropylmethyl-7-(4-butylaminocarbonylaminoe...)
Show SMILES CCCCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:18:19:31:23.29.28,37:20:31:23.29.28|
Show InChI InChI=1S/C33H40N4O4/c1-2-3-12-34-31(39)35-13-10-19-6-8-24-22(15-19)23-17-33(40)26-16-21-7-9-25(38)29-27(21)32(33,30(41-29)28(23)36-24)11-14-37(26)18-20-4-5-20/h6-9,15,20,26,30,36,38,40H,2-5,10-14,16-18H2,1H3,(H2,34,35,39)/t26?,30-,32-,33+/m0/s1
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2.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122860
PNG
(1N-{2-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES CCC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:15:16:28:20.26.25,34:17:28:20.26.25|
Show InChI InChI=1S/C31H35N3O4/c1-2-25(36)32-11-9-17-5-7-22-20(13-17)21-15-31(37)24-14-19-6-8-23(35)28-26(19)30(31,29(38-28)27(21)33-22)10-12-34(24)16-18-3-4-18/h5-8,13,18,24,29,33,35,37H,2-4,9-12,14-16H2,1H3,(H,32,36)/t24?,29-,30-,31+/m0/s1
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3.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122853
PNG
(7N-phenethyl-22-cyclopropylmethyl-2,16-dihydroxy-1...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12|
Show InChI InChI=1S/C35H35N3O4/c39-27-11-9-22-17-28-35(41)18-25-24-16-23(33(40)36-14-12-20-4-2-1-3-5-20)8-10-26(24)37-30(25)32-34(35,29(22)31(27)42-32)13-15-38(28)19-21-6-7-21/h1-5,8-11,16,21,28,32,37,39,41H,6-7,12-15,17-19H2,(H,36,40)/t28?,32-,34-,35+/m0/s1
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3.5n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122852
PNG
(1N-{2-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES CCCC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
Show InChI InChI=1S/C32H37N3O4/c1-2-3-26(37)33-12-10-18-6-8-23-21(14-18)22-16-32(38)25-15-20-7-9-24(36)29-27(20)31(32,30(39-29)28(22)34-23)11-13-35(25)17-19-4-5-19/h6-9,14,19,25,30,34,36,38H,2-5,10-13,15-17H2,1H3,(H,33,37)/t25?,30-,31-,32+/m0/s1
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3.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122851
PNG
(7N-(4-methoxybenzyl)-22-cyclopropylmethyl-2,16-dih...)
Show SMILES COc1ccc(CNC(=O)c2ccc3[nH]c4[C@@H]5Oc6c7c(CC8N(CC9CC9)CC[C@@]57[C@@]8(O)Cc4c3c2)ccc6O)cc1 |TLB:18:19:31:23.29.28,37:20:31:23.29.28|
Show InChI InChI=1S/C35H35N3O5/c1-42-23-8-4-19(5-9-23)17-36-33(40)22-6-10-26-24(14-22)25-16-35(41)28-15-21-7-11-27(39)31-29(21)34(35,32(43-31)30(25)37-26)12-13-38(28)18-20-2-3-20/h4-11,14,20,28,32,37,39,41H,2-3,12-13,15-18H2,1H3,(H,36,40)/t28?,32-,34-,35+/m0/s1
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4.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122866
PNG
(22-cyclopropylmethyl-7-(4-butylaminocarbonylaminoe...)
Show SMILES CCCCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:18:19:31:23.29.28,37:20:31:23.29.28|
Show InChI InChI=1S/C33H40N4O4/c1-2-3-12-34-31(39)35-13-10-19-6-8-24-22(15-19)23-17-33(40)26-16-21-7-9-25(38)29-27(21)32(33,30(41-29)28(23)36-24)11-14-37(26)18-20-4-5-20/h6-9,15,20,26,30,36,38,40H,2-5,10-14,16-18H2,1H3,(H2,34,35,39)/t26?,30-,32-,33+/m0/s1
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4.80n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122864
PNG
(22-cyclopropylmethyl-7-(2-imino-2-propylaminoethyl...)
Show SMILES CCCNC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:15:16:28:20.26.25,34:17:28:20.26.25|
Show InChI InChI=1S/C31H36N4O3/c1-2-10-33-25(32)13-18-5-7-22-20(12-18)21-15-31(37)24-14-19-6-8-23(36)28-26(19)30(31,29(38-28)27(21)34-22)9-11-35(24)16-17-3-4-17/h5-8,12,17,24,29,34,36-37H,2-4,9-11,13-16H2,1H3,(H2,32,33)/t24?,29-,30-,31+/m0/s1
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5.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122858
PNG
(22-cyclopropylmethyl-7-(2-heptylamino-2-iminoethyl...)
Show SMILES CCCCCCCNC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:19:20:32:24.30.29,38:21:32:24.30.29|
Show InChI InChI=1S/C35H44N4O3/c1-2-3-4-5-6-14-37-29(36)17-22-9-11-26-24(16-22)25-19-35(41)28-18-23-10-12-27(40)32-30(23)34(35,33(42-32)31(25)38-26)13-15-39(28)20-21-7-8-21/h9-12,16,21,28,33,38,40-41H,2-8,13-15,17-20H2,1H3,(H2,36,37)/t28?,33-,34-,35+/m0/s1
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5.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
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
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122867
PNG
(7N-(4-phenylbutyl)-22-cyclopropylmethyl-2,16-dihyd...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCCCCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12|
Show InChI InChI=1S/C37H39N3O4/c41-29-14-12-24-19-30-37(43)20-27-26-18-25(35(42)38-16-5-4-8-22-6-2-1-3-7-22)11-13-28(26)39-32(27)34-36(37,31(24)33(29)44-34)15-17-40(30)21-23-9-10-23/h1-3,6-7,11-14,18,23,30,34,39,41,43H,4-5,8-10,15-17,19-21H2,(H,38,42)/t30?,34-,36-,37+/m0/s1
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6.20n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122866
PNG
(22-cyclopropylmethyl-7-(4-butylaminocarbonylaminoe...)
Show SMILES CCCCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:18:19:31:23.29.28,37:20:31:23.29.28|
Show InChI InChI=1S/C33H40N4O4/c1-2-3-12-34-31(39)35-13-10-19-6-8-24-22(15-19)23-17-33(40)26-16-21-7-9-25(38)29-27(21)32(33,30(41-29)28(23)36-24)11-14-37(26)18-20-4-5-20/h6-9,15,20,26,30,36,38,40H,2-5,10-14,16-18H2,1H3,(H2,34,35,39)/t26?,30-,32-,33+/m0/s1
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6.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122858
PNG
(22-cyclopropylmethyl-7-(2-heptylamino-2-iminoethyl...)
Show SMILES CCCCCCCNC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:19:20:32:24.30.29,38:21:32:24.30.29|
Show InChI InChI=1S/C35H44N4O3/c1-2-3-4-5-6-14-37-29(36)17-22-9-11-26-24(16-22)25-19-35(41)28-18-23-10-12-27(40)32-30(23)34(35,33(42-32)31(25)38-26)13-15-39(28)20-21-7-8-21/h9-12,16,21,28,33,38,40-41H,2-8,13-15,17-20H2,1H3,(H2,36,37)/t28?,33-,34-,35+/m0/s1
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7.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122851
PNG
(7N-(4-methoxybenzyl)-22-cyclopropylmethyl-2,16-dih...)
Show SMILES COc1ccc(CNC(=O)c2ccc3[nH]c4[C@@H]5Oc6c7c(CC8N(CC9CC9)CC[C@@]57[C@@]8(O)Cc4c3c2)ccc6O)cc1 |TLB:18:19:31:23.29.28,37:20:31:23.29.28|
Show InChI InChI=1S/C35H35N3O5/c1-42-23-8-4-19(5-9-23)17-36-33(40)22-6-10-26-24(14-22)25-16-35(41)28-15-21-7-11-27(39)31-29(21)34(35,32(43-31)30(25)37-26)12-13-38(28)18-20-2-3-20/h4-11,14,20,28,32,37,39,41H,2-3,12-13,15-18H2,1H3,(H,36,40)/t28?,32-,34-,35+/m0/s1
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7.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122855
PNG
(1N-{2-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES CCCCC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
Show InChI InChI=1S/C33H39N3O4/c1-2-3-4-27(38)34-13-11-19-7-9-24-22(15-19)23-17-33(39)26-16-21-8-10-25(37)30-28(21)32(33,31(40-30)29(23)35-24)12-14-36(26)18-20-5-6-20/h7-10,15,20,26,31,35,37,39H,2-6,11-14,16-18H2,1H3,(H,34,38)/t26?,31-,32-,33+/m0/s1
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7.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122857
PNG
(22-cyclopropylmethyl-7-(6-hexylaminocarbonylaminoe...)
Show SMILES CCCCCCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Show InChI InChI=1S/C35H44N4O4/c1-2-3-4-5-14-36-33(41)37-15-12-21-8-10-26-24(17-21)25-19-35(42)28-18-23-9-11-27(40)31-29(23)34(35,32(43-31)30(25)38-26)13-16-39(28)20-22-6-7-22/h8-11,17,22,28,32,38,40,42H,2-7,12-16,18-20H2,1H3,(H2,36,37,41)/t28?,32-,34-,35+/m0/s1
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8.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122868
PNG
(7N-benzyl-22-cyclopropylmethyl-2,16-dihydroxy-14-o...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12|
Show InChI InChI=1S/C34H33N3O4/c38-26-11-9-21-15-27-34(40)16-24-23-14-22(32(39)35-17-19-4-2-1-3-5-19)8-10-25(23)36-29(24)31-33(34,28(21)30(26)41-31)12-13-37(27)18-20-6-7-20/h1-5,8-11,14,20,27,31,36,38,40H,6-7,12-13,15-18H2,(H,35,39)/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
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122868
PNG
(7N-benzyl-22-cyclopropylmethyl-2,16-dihydroxy-14-o...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12|
Show InChI InChI=1S/C34H33N3O4/c38-26-11-9-21-15-27-34(40)16-24-23-14-22(32(39)35-17-19-4-2-1-3-5-19)8-10-25(23)36-29(24)31-33(34,28(21)30(26)41-31)12-13-37(27)18-20-6-7-20/h1-5,8-11,14,20,27,31,36,38,40H,6-7,12-13,15-18H2,(H,35,39)/t27?,31-,33-,34+/m0/s1
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11n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122861
PNG
(22-cyclopropylmethyl-7-(2-ethylaminocarbonylaminoe...)
Show SMILES CCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
Show InChI InChI=1S/C31H36N4O4/c1-2-32-29(37)33-11-9-17-5-7-22-20(13-17)21-15-31(38)24-14-19-6-8-23(36)27-25(19)30(31,28(39-27)26(21)34-22)10-12-35(24)16-18-3-4-18/h5-8,13,18,24,28,34,36,38H,2-4,9-12,14-16H2,1H3,(H2,32,33,37)/t24?,28-,30-,31+/m0/s1
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12n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122864
PNG
(22-cyclopropylmethyl-7-(2-imino-2-propylaminoethyl...)
Show SMILES CCCNC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:15:16:28:20.26.25,34:17:28:20.26.25|
Show InChI InChI=1S/C31H36N4O3/c1-2-10-33-25(32)13-18-5-7-22-20(12-18)21-15-31(37)24-14-19-6-8-23(36)28-26(19)30(31,29(38-28)27(21)34-22)9-11-35(24)16-17-3-4-17/h5-8,12,17,24,29,34,36-37H,2-4,9-11,13-16H2,1H3,(H2,32,33)/t24?,29-,30-,31+/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122857
PNG
(22-cyclopropylmethyl-7-(6-hexylaminocarbonylaminoe...)
Show SMILES CCCCCCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Show InChI InChI=1S/C35H44N4O4/c1-2-3-4-5-14-36-33(41)37-15-12-21-8-10-26-24(17-21)25-19-35(42)28-18-23-9-11-27(40)31-29(23)34(35,32(43-31)30(25)38-26)13-16-39(28)20-22-6-7-22/h8-11,17,22,28,32,38,40,42H,2-7,12-16,18-20H2,1H3,(H2,36,37,41)/t28?,32-,34-,35+/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122856
PNG
(22-cyclopropylmethyl-7-(2-imino-2-pentylaminoethyl...)
Show SMILES CCCCCNC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
Show InChI InChI=1S/C33H40N4O3/c1-2-3-4-12-35-27(34)15-20-7-9-24-22(14-20)23-17-33(39)26-16-21-8-10-25(38)30-28(21)32(33,31(40-30)29(23)36-24)11-13-37(26)18-19-5-6-19/h7-10,14,19,26,31,36,38-39H,2-6,11-13,15-18H2,1H3,(H2,34,35)/t26?,31-,32-,33+/m0/s1
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17n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122865
PNG
(22-cyclopropylmethyl-7-[2-(1-imino-3-methylbutylam...)
Show SMILES CC(C)CC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
Show InChI InChI=1S/C33H40N4O3/c1-18(2)13-27(34)35-11-9-19-5-7-24-22(14-19)23-16-33(39)26-15-21-6-8-25(38)30-28(21)32(33,31(40-30)29(23)36-24)10-12-37(26)17-20-3-4-20/h5-8,14,18,20,26,31,36,38-39H,3-4,9-13,15-17H2,1-2H3,(H2,34,35)/t26?,31-,32-,33+/m0/s1
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20n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
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
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122862
PNG
(22-cyclopropylmethyl-7-[2-(1-iminoethylamino)ethyl...)
Show SMILES CC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:14:15:27:19.25.24,33:16:27:19.25.24|
Show InChI InChI=1S/C30H34N4O3/c1-16(31)32-10-8-17-4-6-22-20(12-17)21-14-30(36)24-13-19-5-7-23(35)27-25(19)29(30,28(37-27)26(21)33-22)9-11-34(24)15-18-2-3-18/h4-7,12,18,24,28,33,35-36H,2-3,8-11,13-15H2,1H3,(H2,31,32)/t24?,28-,29-,30+/m0/s1
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21n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122862
PNG
(22-cyclopropylmethyl-7-[2-(1-iminoethylamino)ethyl...)
Show SMILES CC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:14:15:27:19.25.24,33:16:27:19.25.24|
Show InChI InChI=1S/C30H34N4O3/c1-16(31)32-10-8-17-4-6-22-20(12-17)21-14-30(36)24-13-19-5-7-23(35)27-25(19)29(30,28(37-27)26(21)33-22)9-11-34(24)15-18-2-3-18/h4-7,12,18,24,28,33,35-36H,2-3,8-11,13-15H2,1H3,(H2,31,32)/t24?,28-,29-,30+/m0/s1
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22n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122854
PNG
(7N-heptyl-22-cyclopropylmethyl-2,16-dihydroxy-14-o...)
Show SMILES CCCCCCCNC(=O)c1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:18:19:31:23.29.28,37:20:31:23.29.28|
Show InChI InChI=1S/C34H41N3O4/c1-2-3-4-5-6-14-35-32(39)22-9-11-25-23(16-22)24-18-34(40)27-17-21-10-12-26(38)30-28(21)33(34,31(41-30)29(24)36-25)13-15-37(27)19-20-7-8-20/h9-12,16,20,27,31,36,38,40H,2-8,13-15,17-19H2,1H3,(H,35,39)/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
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122869
PNG
(22-cyclopropylmethyl-7-[2-(1-iminopropylamino)ethy...)
Show SMILES CCC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:15:16:28:20.26.25,34:17:28:20.26.25|
Show InChI InChI=1S/C31H36N4O3/c1-2-25(32)33-11-9-17-5-7-22-20(13-17)21-15-31(37)24-14-19-6-8-23(36)28-26(19)30(31,29(38-28)27(21)34-22)10-12-35(24)16-18-3-4-18/h5-8,13,18,24,29,34,36-37H,2-4,9-12,14-16H2,1H3,(H2,32,33)/t24?,29-,30-,31+/m0/s1
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22n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122860
PNG
(1N-{2-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES CCC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:15:16:28:20.26.25,34:17:28:20.26.25|
Show InChI InChI=1S/C31H35N3O4/c1-2-25(36)32-11-9-17-5-7-22-20(13-17)21-15-31(37)24-14-19-6-8-23(35)28-26(19)30(31,29(38-28)27(21)33-22)10-12-34(24)16-18-3-4-18/h5-8,13,18,24,29,33,35,37H,2-4,9-12,14-16H2,1H3,(H,32,36)/t24?,29-,30-,31+/m0/s1
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23n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122853
PNG
(7N-phenethyl-22-cyclopropylmethyl-2,16-dihydroxy-1...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12|
Show InChI InChI=1S/C35H35N3O4/c39-27-11-9-22-17-28-35(41)18-25-24-16-23(33(40)36-14-12-20-4-2-1-3-5-20)8-10-26(24)37-30(25)32-34(35,29(22)31(27)42-32)13-15-38(28)19-21-6-7-21/h1-5,8-11,16,21,28,32,37,39,41H,6-7,12-15,17-19H2,(H,36,40)/t28?,32-,34-,35+/m0/s1
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24n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122856
PNG
(22-cyclopropylmethyl-7-(2-imino-2-pentylaminoethyl...)
Show SMILES CCCCCNC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
Show InChI InChI=1S/C33H40N4O3/c1-2-3-4-12-35-27(34)15-20-7-9-24-22(14-20)23-17-33(39)26-16-21-8-10-25(38)30-28(21)32(33,31(40-30)29(23)36-24)11-13-37(26)18-19-5-6-19/h7-10,14,19,26,31,36,38-39H,2-6,11-13,15-18H2,1H3,(H2,34,35)/t26?,31-,32-,33+/m0/s1
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25n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122869
PNG
(22-cyclopropylmethyl-7-[2-(1-iminopropylamino)ethy...)
Show SMILES CCC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:15:16:28:20.26.25,34:17:28:20.26.25|
Show InChI InChI=1S/C31H36N4O3/c1-2-25(32)33-11-9-17-5-7-22-20(13-17)21-15-31(37)24-14-19-6-8-23(36)28-26(19)30(31,29(38-28)27(21)34-22)10-12-35(24)16-18-3-4-18/h5-8,13,18,24,29,34,36-37H,2-4,9-12,14-16H2,1H3,(H2,32,33)/t24?,29-,30-,31+/m0/s1
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26n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122859
PNG
(22-cyclopropylmethyl-7-[2-(1-iminobutylamino)ethyl...)
Show SMILES CCCC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
Show InChI InChI=1S/C32H38N4O3/c1-2-3-26(33)34-12-10-18-6-8-23-21(14-18)22-16-32(38)25-15-20-7-9-24(37)29-27(20)31(32,30(39-29)28(22)35-23)11-13-36(25)17-19-4-5-19/h6-9,14,19,25,30,35,37-38H,2-5,10-13,15-17H2,1H3,(H2,33,34)/t25?,30-,31-,32+/m0/s1
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28n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122852
PNG
(1N-{2-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES CCCC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
Show InChI InChI=1S/C32H37N3O4/c1-2-3-26(37)33-12-10-18-6-8-23-21(14-18)22-16-32(38)25-15-20-7-9-24(36)29-27(20)31(32,30(39-29)28(22)34-23)11-13-35(25)17-19-4-5-19/h6-9,14,19,25,30,34,36,38H,2-5,10-13,15-17H2,1H3,(H,33,37)/t25?,30-,31-,32+/m0/s1
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31n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122855
PNG
(1N-{2-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES CCCCC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
Show InChI InChI=1S/C33H39N3O4/c1-2-3-4-27(38)34-13-11-19-7-9-24-22(15-19)23-17-33(39)26-16-21-8-10-25(37)30-28(21)32(33,31(40-30)29(23)35-24)12-14-36(26)18-20-5-6-20/h7-10,15,20,26,31,35,37,39H,2-6,11-14,16-18H2,1H3,(H,34,38)/t26?,31-,32-,33+/m0/s1
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32n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122867
PNG
(7N-(4-phenylbutyl)-22-cyclopropylmethyl-2,16-dihyd...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCCCCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12|
Show InChI InChI=1S/C37H39N3O4/c41-29-14-12-24-19-30-37(43)20-27-26-18-25(35(42)38-16-5-4-8-22-6-2-1-3-7-22)11-13-28(26)39-32(27)34-36(37,31(24)33(29)44-34)15-17-40(30)21-23-9-10-23/h1-3,6-7,11-14,18,23,30,34,39,41,43H,4-5,8-10,15-17,19-21H2,(H,38,42)/t30?,34-,36-,37+/m0/s1
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37n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122861
PNG
(22-cyclopropylmethyl-7-(2-ethylaminocarbonylaminoe...)
Show SMILES CCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
Show InChI InChI=1S/C31H36N4O4/c1-2-32-29(37)33-11-9-17-5-7-22-20(13-17)21-15-31(38)24-14-19-6-8-23(36)27-25(19)30(31,28(39-27)26(21)34-22)10-12-35(24)16-18-3-4-18/h5-8,13,18,24,28,34,36,38H,2-4,9-12,14-16H2,1H3,(H2,32,33,37)/t24?,28-,30-,31+/m0/s1
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38n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122863
PNG
(22-cyclopropylmethyl-7-[2-(1-iminopentylamino)ethy...)
Show SMILES CCCCC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
Show InChI InChI=1S/C33H40N4O3/c1-2-3-4-27(34)35-13-11-19-7-9-24-22(15-19)23-17-33(39)26-16-21-8-10-25(38)30-28(21)32(33,31(40-30)29(23)36-24)12-14-37(26)18-20-5-6-20/h7-10,15,20,26,31,36,38-39H,2-6,11-14,16-18H2,1H3,(H2,34,35)/t26?,31-,32-,33+/m0/s1
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38n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122859
PNG
(22-cyclopropylmethyl-7-[2-(1-iminobutylamino)ethyl...)
Show SMILES CCCC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
Show InChI InChI=1S/C32H38N4O3/c1-2-3-26(33)34-12-10-18-6-8-23-21(14-18)22-16-32(38)25-15-20-7-9-24(37)29-27(20)31(32,30(39-29)28(22)35-23)11-13-36(25)17-19-4-5-19/h6-9,14,19,25,30,35,37-38H,2-5,10-13,15-17H2,1H3,(H2,33,34)/t25?,30-,31-,32+/m0/s1
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41n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122868
PNG
(7N-benzyl-22-cyclopropylmethyl-2,16-dihydroxy-14-o...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12|
Show InChI InChI=1S/C34H33N3O4/c38-26-11-9-21-15-27-34(40)16-24-23-14-22(32(39)35-17-19-4-2-1-3-5-19)8-10-25(23)36-29(24)31-33(34,28(21)30(26)41-31)12-13-37(27)18-20-6-7-20/h1-5,8-11,14,20,27,31,36,38,40H,6-7,12-13,15-18H2,(H,35,39)/t27?,31-,33-,34+/m0/s1
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44n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122865
PNG
(22-cyclopropylmethyl-7-[2-(1-imino-3-methylbutylam...)
Show SMILES CC(C)CC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
Show InChI InChI=1S/C33H40N4O3/c1-18(2)13-27(34)35-11-9-19-5-7-24-22(14-19)23-16-33(39)26-15-21-6-8-25(38)30-28(21)32(33,31(40-30)29(23)36-24)10-12-37(26)17-20-3-4-20/h5-8,14,18,20,26,31,36,38-39H,3-4,9-13,15-17H2,1-2H3,(H2,34,35)/t26?,31-,32-,33+/m0/s1
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47n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122858
PNG
(22-cyclopropylmethyl-7-(2-heptylamino-2-iminoethyl...)
Show SMILES CCCCCCCNC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:19:20:32:24.30.29,38:21:32:24.30.29|
Show InChI InChI=1S/C35H44N4O3/c1-2-3-4-5-6-14-37-29(36)17-22-9-11-26-24(16-22)25-19-35(41)28-18-23-10-12-27(40)32-30(23)34(35,33(42-32)31(25)38-26)13-15-39(28)20-21-7-8-21/h9-12,16,21,28,33,38,40-41H,2-8,13-15,17-20H2,1H3,(H2,36,37)/t28?,33-,34-,35+/m0/s1
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57n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122867
PNG
(7N-(4-phenylbutyl)-22-cyclopropylmethyl-2,16-dihyd...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCCCCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12|
Show InChI InChI=1S/C37H39N3O4/c41-29-14-12-24-19-30-37(43)20-27-26-18-25(35(42)38-16-5-4-8-22-6-2-1-3-7-22)11-13-28(26)39-32(27)34-36(37,31(24)33(29)44-34)15-17-40(30)21-23-9-10-23/h1-3,6-7,11-14,18,23,30,34,39,41,43H,4-5,8-10,15-17,19-21H2,(H,38,42)/t30?,34-,36-,37+/m0/s1
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59n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122854
PNG
(7N-heptyl-22-cyclopropylmethyl-2,16-dihydroxy-14-o...)
Show SMILES CCCCCCCNC(=O)c1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:18:19:31:23.29.28,37:20:31:23.29.28|
Show InChI InChI=1S/C34H41N3O4/c1-2-3-4-5-6-14-35-32(39)22-9-11-25-23(16-22)24-18-34(40)27-17-21-10-12-26(38)30-28(21)33(34,31(41-30)29(24)36-25)13-15-37(27)19-20-7-8-20/h9-12,16,20,27,31,36,38,40H,2-8,13-15,17-19H2,1H3,(H,35,39)/t27?,31-,33-,34+/m0/s1
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62n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122854
PNG
(7N-heptyl-22-cyclopropylmethyl-2,16-dihydroxy-14-o...)
Show SMILES CCCCCCCNC(=O)c1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:18:19:31:23.29.28,37:20:31:23.29.28|
Show InChI InChI=1S/C34H41N3O4/c1-2-3-4-5-6-14-35-32(39)22-9-11-25-23(16-22)24-18-34(40)27-17-21-10-12-26(38)30-28(21)33(34,31(41-30)29(24)36-25)13-15-37(27)19-20-7-8-20/h9-12,16,20,27,31,36,38,40H,2-8,13-15,17-19H2,1H3,(H,35,39)/t27?,31-,33-,34+/m0/s1
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70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122863
PNG
(22-cyclopropylmethyl-7-[2-(1-iminopentylamino)ethy...)
Show SMILES CCCCC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
Show InChI InChI=1S/C33H40N4O3/c1-2-3-4-27(34)35-13-11-19-7-9-24-22(15-19)23-17-33(39)26-16-21-8-10-25(38)30-28(21)32(33,31(40-30)29(23)36-24)12-14-37(26)18-20-5-6-20/h7-10,15,20,26,31,36,38-39H,2-6,11-14,16-18H2,1H3,(H2,34,35)/t26?,31-,32-,33+/m0/s1
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219n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%