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Compile Data Set for Download or QSAR

Found 262 hits with Last Name = 'hudson' and Initial = 'al'   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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0.150n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50098195
PNG
(22-cyclopropylmethyl-11-(2-fluoroethyl)-14-oxa-11,...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1CCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
Show InChI InChI=1S/C28H29FN2O3/c29-10-12-31-20-4-2-1-3-18(20)19-14-28(33)22-13-17-7-8-21(32)25-23(17)27(28,26(34-25)24(19)31)9-11-30(22)15-16-5-6-16/h1-4,7-8,16,22,26,32-33H,5-6,9-15H2/t22?,26-,27?,28+/m0/s1
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0.240n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50098192
PNG
(22-cyclopropylmethyl-11-ethyl-14-oxa-11,22-diazahe...)
Show SMILES CCn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c2ccccc12)ccc4O |TLB:12:11:19:7.8.9,THB:6:7:19:11.17.16,20:19:7.8.9:11.17.16|
Show InChI InChI=1S/C28H30N2O3/c1-2-30-20-6-4-3-5-18(20)19-14-28(32)22-13-17-9-10-21(31)25-23(17)27(28,26(33-25)24(19)30)11-12-29(22)15-16-7-8-16/h3-6,9-10,16,22,26,31-32H,2,7-8,11-15H2,1H3/t22?,26-,27?,28+/m0/s1
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0.260n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50098196
PNG
(22-cyclopropylmethyl-11-(3-fluoropropyl)-14-oxa-11...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1CCCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
Show InChI InChI=1S/C29H31FN2O3/c30-11-3-12-32-21-5-2-1-4-19(21)20-15-29(34)23-14-18-8-9-22(33)26-24(18)28(29,27(35-26)25(20)32)10-13-31(23)16-17-6-7-17/h1-2,4-5,8-9,17,23,27,33-34H,3,6-7,10-16H2/t23?,27-,28?,29+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50098199
PNG
(22-cyclopropylmethyl-11-propyl-14-oxa-11,22-diazah...)
Show SMILES CCCn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c2ccccc12)ccc4O |TLB:13:12:20:8.9.10,THB:7:8:20:12.18.17,21:20:8.9.10:12.18.17|
Show InChI InChI=1S/C29H32N2O3/c1-2-12-31-21-6-4-3-5-19(21)20-15-29(33)23-14-18-9-10-22(32)26-24(18)28(29,27(34-26)25(20)31)11-13-30(23)16-17-7-8-17/h3-6,9-10,17,23,27,32-33H,2,7-8,11-16H2,1H3/t23?,27-,28?,29+/m0/s1
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0.440n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50451343
PNG
(CHEMBL477154)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2n(C)c2ccccc12)ccc3O |THB:10:9:17:5.6.4|
Show InChI InChI=1S/C27H28N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3/t21-,25+,26+,27-/m1/s1
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0.490n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50098201
PNG
(CHEMBL367962 | N-[22-cyclopropylmethyl-11-(2-fluor...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35NC=O)c2ccccc2n1CCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
Show InChI InChI=1S/C29H30FN3O3/c30-10-12-33-21-4-2-1-3-19(21)20-14-29(31-16-34)23-13-18-7-8-22(35)26-24(18)28(29,27(36-26)25(20)33)9-11-32(23)15-17-5-6-17/h1-4,7-8,16-17,23,27,35H,5-6,9-15H2,(H,31,34)/t23?,27-,28?,29+/m0/s1
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0.550n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50098186
PNG
(22-cyclopropylmethyl-2-ethylamino-14-oxa-11,22-dia...)
Show SMILES CCN[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |TLB:16:17:3:21.27.26,THB:22:21:3:17.18.19,2:3:17.18.19:21.27.26|
Show InChI InChI=1S/C28H31N3O2/c1-2-29-28-14-19-18-5-3-4-6-20(18)30-24(19)26-27(28)11-12-31(15-16-7-8-16)22(28)13-17-9-10-21(32)25(33-26)23(17)27/h3-6,9-10,16,22,26,29-30,32H,2,7-8,11-15H2,1H3/t22?,26-,27?,28+/m0/s1
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0.770n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50098198
PNG
(CHEMBL170399 | N-[22-cyclopropylmethyl-11-(3-fluor...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35NC=O)c2ccccc2n1CCCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
Show InChI InChI=1S/C30H32FN3O3/c31-11-3-12-34-22-5-2-1-4-20(22)21-15-30(32-17-35)24-14-19-8-9-23(36)27-25(19)29(30,28(37-27)26(21)34)10-13-33(24)16-18-6-7-18/h1-2,4-5,8-9,17-18,24,28,36H,3,6-7,10-16H2,(H,32,35)/t24?,28-,29?,30+/m0/s1
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0.820n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50098188
PNG
(CHEMBL176537 | N-[22-cyclopropylmethyl-16-hydroxy-...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35NC=O |TLB:8:7:29:18.4.5,30:29:18.4.5:7.13.12,THB:17:18:29:7.13.12|
Show InChI InChI=1S/C27H27N3O3/c31-14-28-27-12-18-17-3-1-2-4-19(17)29-23(18)25-26(27)9-10-30(13-15-5-6-15)21(27)11-16-7-8-20(32)24(33-25)22(16)26/h1-4,7-8,14-15,21,25,29,32H,5-6,9-13H2,(H,28,31)/t21?,25-,26?,27+/m0/s1
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0.890n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50098187
PNG
(22-cyclopropylmethyl-2-(3-propylsulfanylpropylamin...)
Show SMILES CCCSCCCN[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |TLB:21:22:8:26.32.31,THB:27:26:8:22.23.24,7:8:22.23.24:26.32.31|
Show InChI InChI=1S/C32H39N3O2S/c1-2-15-38-16-5-13-33-32-18-23-22-6-3-4-7-24(22)34-28(23)30-31(32)12-14-35(19-20-8-9-20)26(32)17-21-10-11-25(36)29(37-30)27(21)31/h3-4,6-7,10-11,20,26,30,33-34,36H,2,5,8-9,12-19H2,1H3/t26?,30-,31?,32+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50098193
PNG
(22-cyclopropylmethyl-2-propylamino-14-oxa-11,22-di...)
Show SMILES CCCN[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |TLB:17:18:4:22.28.27,THB:23:22:4:18.19.20,3:4:18.19.20:22.28.27|
Show InChI InChI=1S/C29H33N3O2/c1-2-12-30-29-15-20-19-5-3-4-6-21(19)31-25(20)27-28(29)11-13-32(16-17-7-8-17)23(29)14-18-9-10-22(33)26(34-27)24(18)28/h3-6,9-10,17,23,27,30-31,33H,2,7-8,11-16H2,1H3/t23?,27-,28?,29+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50098202
PNG
(11-(3-fluoropropyl)-22-methyl-14-oxa-11,22-diazahe...)
Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4n(CCCF)c2ccccc12)ccc5O |TLB:13:12:8.9.10:1.3.2,0:1:12:8.9.10,THB:7:8:12:1.3.2|
Show InChI InChI=1S/C26H27FN2O3/c1-28-12-9-25-21-15-7-8-19(30)23(21)32-24(25)22-17(14-26(25,31)20(28)13-15)16-5-2-3-6-18(16)29(22)11-4-10-27/h2-3,5-8,20,24,30-31H,4,9-14H2,1H3/t20?,24-,25?,26+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50098194
PNG
(11-(2-fluoroethyl)-22-methyl-(2S)-14-oxa-11,22-dia...)
Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4n(CCF)c2ccccc12)ccc5O |TLB:13:12:8.9.10:1.3.2,0:1:12:8.9.10,THB:7:8:12:1.3.2|
Show InChI InChI=1S/C25H25FN2O3/c1-27-10-8-24-20-14-6-7-18(29)22(20)31-23(24)21-16(13-25(24,30)19(27)12-14)15-4-2-3-5-17(15)28(21)11-9-26/h2-7,19,23,29-30H,8-13H2,1H3/t19?,23-,24?,25+/m0/s1
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6.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2|
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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Article
PubMed
7.10n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2A adrenergic receptor expressed in CHO cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 2259-65 (2012)


Article DOI: 10.1016/j.bmc.2012.02.016
BindingDB Entry DOI: 10.7270/Q2JW8G5M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50098187
PNG
(22-cyclopropylmethyl-2-(3-propylsulfanylpropylamin...)
Show SMILES CCCSCCCN[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |TLB:21:22:8:26.32.31,THB:27:26:8:22.23.24,7:8:22.23.24:26.32.31|
Show InChI InChI=1S/C32H39N3O2S/c1-2-15-38-16-5-13-33-32-18-23-22-6-3-4-7-24(22)34-28(23)30-31(32)12-14-35(19-20-8-9-20)26(32)17-21-10-11-25(36)29(37-30)27(21)31/h3-4,6-7,10-11,20,26,30,33-34,36H,2,5,8-9,12-19H2,1H3/t26?,30-,31?,32+/m0/s1
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8.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by using [3H]DAMGO as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50098195
PNG
(22-cyclopropylmethyl-11-(2-fluoroethyl)-14-oxa-11,...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1CCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
Show InChI InChI=1S/C28H29FN2O3/c29-10-12-31-20-4-2-1-3-18(20)19-14-28(33)22-13-17-7-8-21(32)25-23(17)27(28,26(34-25)24(19)31)9-11-30(22)15-16-5-6-16/h1-4,7-8,16,22,26,32-33H,5-6,9-15H2/t22?,26-,27?,28+/m0/s1
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8.30n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by using [3H]U-69593 as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50451343
PNG
(CHEMBL477154)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2n(C)c2ccccc12)ccc3O |THB:10:9:17:5.6.4|
Show InChI InChI=1S/C27H28N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3/t21-,25+,26+,27-/m1/s1
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8.30n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by using [3H]U-69593 as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50098196
PNG
(22-cyclopropylmethyl-11-(3-fluoropropyl)-14-oxa-11...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1CCCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
Show InChI InChI=1S/C29H31FN2O3/c30-11-3-12-32-21-5-2-1-4-19(21)20-15-29(34)23-14-18-8-9-22(33)26-24(18)28(29,27(35-26)25(20)32)10-13-31(23)16-17-6-7-17/h1-2,4-5,8-9,17,23,27,33-34H,3,6-7,10-16H2/t23?,27-,28?,29+/m0/s1
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9.80n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by using [3H]U-69593 as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50098200
PNG
(2N-(2-fluoroethyl)-22-cyclopropylmethyl-16-methoxy...)
Show SMILES COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35NCCF |TLB:9:8:30:19.5.6,31:30:19.5.6:8.14.13,THB:18:19:30:8.14.13|
Show InChI InChI=1S/C29H32FN3O2/c1-34-22-9-8-18-14-23-29(31-12-11-30)15-20-19-4-2-3-5-21(19)32-25(20)27-28(29,24(18)26(22)35-27)10-13-33(23)16-17-6-7-17/h2-5,8-9,17,23,27,31-32H,6-7,10-16H2,1H3/t23?,27-,28?,29+/m0/s1
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10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Nischarin


(Homo sapiens (Human))
BDBM50138500
PNG
(2-((E)-Styryl)-4,5-dihydro-1H-imidazole | 2-styryl...)
Show SMILES C1CN=C(N1)\C=C\c1ccccc1 |c:2|
Show InChI InChI=1S/C11H12N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7H,8-9H2,(H,12,13)/b7-6+
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10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for rat imidazoline receptor I-1 from crude P2 membranes


Bioorg Med Chem Lett 14: 527-9 (2003)


BindingDB Entry DOI: 10.7270/Q20G3JKT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50098199
PNG
(22-cyclopropylmethyl-11-propyl-14-oxa-11,22-diazah...)
Show SMILES CCCn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c2ccccc12)ccc4O |TLB:13:12:20:8.9.10,THB:7:8:20:12.18.17,21:20:8.9.10:12.18.17|
Show InChI InChI=1S/C29H32N2O3/c1-2-12-31-21-6-4-3-5-19(21)20-15-29(33)23-14-18-9-10-22(32)26-24(18)28(29,27(34-26)25(20)31)11-13-30(23)16-17-7-8-17/h3-6,9-10,17,23,27,32-33H,2,7-8,11-16H2,1H3/t23?,27-,28?,29+/m0/s1
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12n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by using [3H]U-69593 as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50098191
PNG
(2N-(3-fluoropropyl)-22-cyclopropylmethyl-16-methox...)
Show SMILES COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35NCCCF |TLB:9:8:30:19.5.6,31:30:19.5.6:8.14.13,THB:18:19:30:8.14.13|
Show InChI InChI=1S/C30H34FN3O2/c1-35-23-10-9-19-15-24-30(32-13-4-12-31)16-21-20-5-2-3-6-22(20)33-26(21)28-29(30,25(19)27(23)36-28)11-14-34(24)17-18-7-8-18/h2-3,5-6,9-10,18,24,28,32-33H,4,7-8,11-17H2,1H3/t24?,28-,29?,30+/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50098192
PNG
(22-cyclopropylmethyl-11-ethyl-14-oxa-11,22-diazahe...)
Show SMILES CCn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c2ccccc12)ccc4O |TLB:12:11:19:7.8.9,THB:6:7:19:11.17.16,20:19:7.8.9:11.17.16|
Show InChI InChI=1S/C28H30N2O3/c1-2-30-20-6-4-3-5-18(20)19-14-28(32)22-13-17-9-10-21(31)25-23(17)27(28,26(33-25)24(19)30)11-12-29(22)15-16-7-8-16/h3-6,9-10,16,22,26,31-32H,2,7-8,11-15H2,1H3/t22?,26-,27?,28+/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by using [3H]U-69593 as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50271255
PNG
(1-[(Imidazolidin-2-yl)imino]indazole hydrochloride...)
Show SMILES [#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]/n1ncc2ccccc12
Show InChI InChI=1S/C10H11N5/c1-2-4-9-8(3-1)7-13-15(9)14-10-11-5-6-12-10/h1-4,7H,5-6H2,(H2,11,12,14)
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14n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenoceptor in Sprague-Dawley rat brain membranes after 45 mins by liquid scintillation counting


Eur J Med Chem 87: 386-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.083
BindingDB Entry DOI: 10.7270/Q2MW2M45
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by using [3H]U-69593 as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50098187
PNG
(22-cyclopropylmethyl-2-(3-propylsulfanylpropylamin...)
Show SMILES CCCSCCCN[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |TLB:21:22:8:26.32.31,THB:27:26:8:22.23.24,7:8:22.23.24:26.32.31|
Show InChI InChI=1S/C32H39N3O2S/c1-2-15-38-16-5-13-33-32-18-23-22-6-3-4-7-24(22)34-28(23)30-31(32)12-14-35(19-20-8-9-20)26(32)17-21-10-11-25(36)29(37-30)27(21)31/h3-4,6-7,10-11,20,26,30,33-34,36H,2,5,8-9,12-19H2,1H3/t26?,30-,31?,32+/m0/s1
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15n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by using [3H]U-69593 as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50098199
PNG
(22-cyclopropylmethyl-11-propyl-14-oxa-11,22-diazah...)
Show SMILES CCCn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c2ccccc12)ccc4O |TLB:13:12:20:8.9.10,THB:7:8:20:12.18.17,21:20:8.9.10:12.18.17|
Show InChI InChI=1S/C29H32N2O3/c1-2-12-31-21-6-4-3-5-19(21)20-15-29(33)23-14-18-9-10-22(32)26-24(18)28(29,27(34-26)25(20)31)11-13-30(23)16-17-7-8-17/h3-6,9-10,17,23,27,32-33H,2,7-8,11-16H2,1H3/t23?,27-,28?,29+/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by using [3H]DAMGO as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50098195
PNG
(22-cyclopropylmethyl-11-(2-fluoroethyl)-14-oxa-11,...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1CCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
Show InChI InChI=1S/C28H29FN2O3/c29-10-12-31-20-4-2-1-3-18(20)19-14-28(33)22-13-17-7-8-21(32)25-23(17)27(28,26(34-25)24(19)31)9-11-30(22)15-16-5-6-16/h1-4,7-8,16,22,26,32-33H,5-6,9-15H2/t22?,26-,27?,28+/m0/s1
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17n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by using [3H]DAMGO as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50098198
PNG
(CHEMBL170399 | N-[22-cyclopropylmethyl-11-(3-fluor...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35NC=O)c2ccccc2n1CCCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
Show InChI InChI=1S/C30H32FN3O3/c31-11-3-12-34-22-5-2-1-4-20(22)21-15-30(32-17-35)24-14-19-8-9-23(36)27-25(19)29(30,28(37-27)26(21)34)10-13-33(24)16-18-6-7-18/h1-2,4-5,8-9,17-18,24,28,36H,3,6-7,10-16H2,(H,32,35)/t24?,28-,29?,30+/m0/s1
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18n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by using [3H]U-69593 as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2|
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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18n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human Alpha-2C adrenergic receptor expressed in CHO cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 2259-65 (2012)


Article DOI: 10.1016/j.bmc.2012.02.016
BindingDB Entry DOI: 10.7270/Q2JW8G5M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50098201
PNG
(CHEMBL367962 | N-[22-cyclopropylmethyl-11-(2-fluor...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35NC=O)c2ccccc2n1CCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
Show InChI InChI=1S/C29H30FN3O3/c30-10-12-33-21-4-2-1-3-19(21)20-14-29(31-16-34)23-13-18-7-8-22(35)26-24(18)28(29,27(36-26)25(20)33)9-11-32(23)15-17-5-6-17/h1-4,7-8,16-17,23,27,35H,5-6,9-15H2,(H,31,34)/t23?,27-,28?,29+/m0/s1
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18n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by using [3H]U-69593 as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50098196
PNG
(22-cyclopropylmethyl-11-(3-fluoropropyl)-14-oxa-11...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1CCCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
Show InChI InChI=1S/C29H31FN2O3/c30-11-3-12-32-21-5-2-1-4-19(21)20-15-29(34)23-14-18-8-9-22(33)26-24(18)28(29,27(35-26)25(20)32)10-13-31(23)16-17-6-7-17/h1-2,4-5,8-9,17,23,27,33-34H,3,6-7,10-16H2/t23?,27-,28?,29+/m0/s1
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19n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by using [3H]DAMGO as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50098197
PNG
(2N-propyl-22-cyclopropylmethyl-16-methoxy-(13R)-14...)
Show SMILES CCCN[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4OC |TLB:17:18:4:22.28.27,THB:23:22:4:18.19.20,3:4:18.19.20:22.28.27|
Show InChI InChI=1S/C30H35N3O2/c1-3-13-31-30-16-21-20-6-4-5-7-22(20)32-26(21)28-29(30)12-14-33(17-18-8-9-18)24(30)15-19-10-11-23(34-2)27(35-28)25(19)29/h4-7,10-11,18,24,28,31-32H,3,8-9,12-17H2,1-2H3/t24?,28-,29?,30+/m0/s1
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19n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50098198
PNG
(CHEMBL170399 | N-[22-cyclopropylmethyl-11-(3-fluor...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35NC=O)c2ccccc2n1CCCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
Show InChI InChI=1S/C30H32FN3O3/c31-11-3-12-34-22-5-2-1-4-20(22)21-15-30(32-17-35)24-14-19-8-9-23(36)27-25(19)29(30,28(37-27)26(21)34)10-13-33(24)16-18-6-7-18/h1-2,4-5,8-9,17-18,24,28,36H,3,6-7,10-16H2,(H,32,35)/t24?,28-,29?,30+/m0/s1
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21n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by using [3H]DAMGO as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50136494
PNG
(8-Bromo-2,3,4,9-tetrahydro-1H-beta-carboline | CHE...)
Show SMILES Brc1cccc2c3CCNCc3[nH]c12
Show InChI InChI=1S/C11H11BrN2/c12-9-3-1-2-8-7-4-5-13-6-10(7)14-11(8)9/h1-3,13-14H,4-6H2
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22n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2A receptor of rat.


Bioorg Med Chem Lett 14: 999-1002 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.078
BindingDB Entry DOI: 10.7270/Q2SB456G
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50098192
PNG
(22-cyclopropylmethyl-11-ethyl-14-oxa-11,22-diazahe...)
Show SMILES CCn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c2ccccc12)ccc4O |TLB:12:11:19:7.8.9,THB:6:7:19:11.17.16,20:19:7.8.9:11.17.16|
Show InChI InChI=1S/C28H30N2O3/c1-2-30-20-6-4-3-5-18(20)19-14-28(32)22-13-17-9-10-21(31)25-23(17)27(28,26(33-25)24(19)30)11-12-29(22)15-16-7-8-16/h3-6,9-10,16,22,26,31-32H,2,7-8,11-15H2,1H3/t22?,26-,27?,28+/m0/s1
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22n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by using [3H]DAMGO as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2|
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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23n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2B adrenergic receptor expressed in CHO cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 2259-65 (2012)


Article DOI: 10.1016/j.bmc.2012.02.016
BindingDB Entry DOI: 10.7270/Q2JW8G5M
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50497435
PNG
(CHEMBL3343699)
Show SMILES Fc1ccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c2c1
Show InChI InChI=1S/C10H10FN5/c11-8-2-1-7-6-14-16(9(7)5-8)15-10-12-3-4-13-10/h1-2,5-6H,3-4H2,(H2,12,13,15)
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26n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenoceptor in Sprague-Dawley rat brain membranes after 45 mins by liquid scintillation counting


Eur J Med Chem 87: 386-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.083
BindingDB Entry DOI: 10.7270/Q2MW2M45
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50098185
PNG
(2N-ethyl-22-cyclopropylmethyl-16-methoxy-(13R)-14-...)
Show SMILES CCN[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4OC |TLB:16:17:3:21.27.26,THB:22:21:3:17.18.19,2:3:17.18.19:21.27.26|
Show InChI InChI=1S/C29H33N3O2/c1-3-30-29-15-20-19-6-4-5-7-21(19)31-25(20)27-28(29)12-13-32(16-17-8-9-17)23(29)14-18-10-11-22(33-2)26(34-27)24(18)28/h4-7,10-11,17,23,27,30-31H,3,8-9,12-16H2,1-2H3/t23?,27-,28?,29+/m0/s1
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27n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50098188
PNG
(CHEMBL176537 | N-[22-cyclopropylmethyl-16-hydroxy-...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35NC=O |TLB:8:7:29:18.4.5,30:29:18.4.5:7.13.12,THB:17:18:29:7.13.12|
Show InChI InChI=1S/C27H27N3O3/c31-14-28-27-12-18-17-3-1-2-4-19(17)29-23(18)25-26(27)9-10-30(13-15-5-6-15)21(27)11-16-7-8-20(32)24(33-25)22(16)26/h1-4,7-8,14-15,21,25,29,32H,5-6,9-13H2,(H,28,31)/t21?,25-,26?,27+/m0/s1
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27n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by using [3H]U-69593 as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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28n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by using [3H]DAMGO as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50098194
PNG
(11-(2-fluoroethyl)-22-methyl-(2S)-14-oxa-11,22-dia...)
Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4n(CCF)c2ccccc12)ccc5O |TLB:13:12:8.9.10:1.3.2,0:1:12:8.9.10,THB:7:8:12:1.3.2|
Show InChI InChI=1S/C25H25FN2O3/c1-27-10-8-24-20-14-6-7-18(29)22(20)31-23(24)21-16(13-25(24,30)19(27)12-14)15-4-2-3-5-17(15)28(21)11-9-26/h2-7,19,23,29-30H,8-13H2,1H3/t19?,23-,24?,25+/m0/s1
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30n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by using [3H]DAMGO as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50497438
PNG
(CHEMBL3343704)
Show SMILES Fc1ccc2cnn(CC3=NCCN3)c2c1 |t:9|
Show InChI InChI=1S/C11H11FN4/c12-9-2-1-8-6-15-16(10(8)5-9)7-11-13-3-4-14-11/h1-2,5-6H,3-4,7H2,(H,13,14)
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30n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenoceptor in Sprague-Dawley rat brain membranes after 45 mins by liquid scintillation counting


Eur J Med Chem 87: 386-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.083
BindingDB Entry DOI: 10.7270/Q2MW2M45
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50334197
PNG
(7-Chloro-3-[(imidazolidin-2-yl)imino]indazole hydr...)
Show SMILES Clc1cccc2c(N=C3NCCN3)[nH]nc12 |(13.68,-39.86,;13.64,-41.39,;12.29,-42.12,;12.25,-43.67,;13.56,-44.47,;14.92,-43.74,;16.37,-44.25,;17.18,-45.57,;18.71,-45.54,;19.59,-44.27,;21.07,-44.71,;21.09,-46.25,;19.64,-46.76,;17.3,-43.03,;16.43,-41.77,;14.95,-42.2,)|
Show InChI InChI=1S/C10H10ClN5/c11-7-3-1-2-6-8(7)15-16-9(6)14-10-12-4-5-13-10/h1-3H,4-5H2,(H3,12,13,14,15,16)
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30.8n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]2BFI from imidazoline I1 receptor in Sprague-Dawley rat brain membrane after 45 mins by liquid scintillation counting


Bioorg Med Chem 19: 321-9 (2011)


Article DOI: 10.1016/j.bmc.2010.11.020
BindingDB Entry DOI: 10.7270/Q2FQ9WX5
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50497439
PNG
(CHEMBL3343700)
Show SMILES Fc1cccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c12
Show InChI InChI=1S/C10H10FN5/c11-8-3-1-2-7-6-14-16(9(7)8)15-10-12-4-5-13-10/h1-3,6H,4-5H2,(H2,12,13,15)
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31n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenoceptor in Sprague-Dawley rat brain membranes after 45 mins by liquid scintillation counting


Eur J Med Chem 87: 386-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.083
BindingDB Entry DOI: 10.7270/Q2MW2M45
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50497436
PNG
(CHEMBL3343703)
Show SMILES Fc1ccc2n(CC3=NCCN3)ncc2c1 |t:7|
Show InChI InChI=1S/C11H11FN4/c12-9-1-2-10-8(5-9)6-15-16(10)7-11-13-3-4-14-11/h1-2,5-6H,3-4,7H2,(H,13,14)
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32n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenoceptor in Sprague-Dawley rat brain membranes after 45 mins by liquid scintillation counting


Eur J Med Chem 87: 386-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.083
BindingDB Entry DOI: 10.7270/Q2MW2M45
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50098201
PNG
(CHEMBL367962 | N-[22-cyclopropylmethyl-11-(2-fluor...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35NC=O)c2ccccc2n1CCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
Show InChI InChI=1S/C29H30FN3O3/c30-10-12-33-21-4-2-1-3-19(21)20-14-29(31-16-34)23-13-18-7-8-22(35)26-24(18)28(29,27(36-26)25(20)33)9-11-32(23)15-17-5-6-17/h1-4,7-8,16-17,23,27,35H,5-6,9-15H2,(H,31,34)/t23?,27-,28?,29+/m0/s1
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32n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by using [3H]DAMGO as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50497435
PNG
(CHEMBL3343699)
Show SMILES Fc1ccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c2c1
Show InChI InChI=1S/C10H10FN5/c11-8-2-1-7-6-14-16(9(7)5-8)15-10-12-3-4-13-10/h1-2,5-6H,3-4H2,(H2,12,13,15)
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33n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from human alpha2A adrenoceptor expressed in CHO-K1 cells after 45 mins by liquid scintillation counting


Eur J Med Chem 87: 386-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.083
BindingDB Entry DOI: 10.7270/Q2MW2M45
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50098188
PNG
(CHEMBL176537 | N-[22-cyclopropylmethyl-16-hydroxy-...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35NC=O |TLB:8:7:29:18.4.5,30:29:18.4.5:7.13.12,THB:17:18:29:7.13.12|
Show InChI InChI=1S/C27H27N3O3/c31-14-28-27-12-18-17-3-1-2-4-19(17)29-23(18)25-26(27)9-10-30(13-15-5-6-15)21(27)11-16-7-8-20(32)24(33-25)22(16)26/h1-4,7-8,14-15,21,25,29,32H,5-6,9-13H2,(H,28,31)/t21?,25-,26?,27+/m0/s1
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36n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by using [3H]DAMGO as a radioligand from guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair
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