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Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'palmer' and Initial = 'rb'   
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))
BDBM50056626
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(1-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1cccc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-11-10-21-15-25-31(35)16-22(14-20-6-3-5-19-4-1-2-7-23(19)20)27(34)29-30(31,26(21)28(24)36-29)12-13-32(25)17-18-8-9-18/h1-7,10-11,14,18,25,29,33,35H,8-9,12-13,15-17H2/t25-,29+,30?,31-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50056625
PNG
(15-[1-(9-anthryl)-(Z)-methylidene]-4-cyclopropylme...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1c2ccccc2cc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C35H31NO4/c37-28-12-11-23-17-29-35(39)18-24(16-27-25-7-3-1-5-21(25)15-22-6-2-4-8-26(22)27)31(38)33-34(35,30(23)32(28)40-33)13-14-36(29)19-20-9-10-20/h1-8,11-12,15-16,20,29,33,37,39H,9-10,13-14,17-19H2/t29-,33+,34?,35-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50450986
PNG
(CHEMBL101519)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C\c1ccccc1)C2=O)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12-/t21-,25+,26+,27-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50056626
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(1-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1cccc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-11-10-21-15-25-31(35)16-22(14-20-6-3-5-19-4-1-2-7-23(19)20)27(34)29-30(31,26(21)28(24)36-29)12-13-32(25)17-18-8-9-18/h1-7,10-11,14,18,25,29,33,35H,8-9,12-13,15-17H2/t25-,29+,30?,31-/m1/s1
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4.60n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50454798
PNG
(7-Benzylidenenaltrexone | BNTX)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1
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6.20n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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11n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50056626
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(1-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1cccc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-11-10-21-15-25-31(35)16-22(14-20-6-3-5-19-4-1-2-7-23(19)20)27(34)29-30(31,26(21)28(24)36-29)12-13-32(25)17-18-8-9-18/h1-7,10-11,14,18,25,29,33,35H,8-9,12-13,15-17H2/t25-,29+,30?,31-/m1/s1
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11n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50013025
PNG
(2,6-Dimethyl-4-(5-methyl-3-phenyl-isoxazol-4-yl)-1...)
Show SMILES CCOC(=O)C1C(c2c(C)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:29,t:26|
Show InChI InChI=1S/C23H26N2O5/c1-6-28-22(26)17-13(3)24-14(4)18(23(27)29-7-2)20(17)19-15(5)30-25-21(19)16-11-9-8-10-12-16/h8-12,17,20H,6-7H2,1-5H3
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14n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane


J Med Chem 33: 2255-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KS6QHH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50056632
PNG
(10,17-dihydroxy-4-isobutyl-15-[1-(2-naphthyl)-(Z)-...)
Show SMILES CC(C)CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC(=Cc1ccc2ccccc2c1)C4=O)ccc5O |w:19.22,THB:3:4:15:11.12.13|
Show InChI InChI=1S/C31H31NO4/c1-18(2)17-32-12-11-30-26-22-9-10-24(33)28(26)36-29(30)27(34)23(16-31(30,35)25(32)15-22)14-19-7-8-20-5-3-4-6-21(20)13-19/h3-10,13-14,18,25,29,33,35H,11-12,15-17H2,1-2H3/t25-,29+,30?,31-/m1/s1
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16n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50056625
PNG
(15-[1-(9-anthryl)-(Z)-methylidene]-4-cyclopropylme...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1c2ccccc2cc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C35H31NO4/c37-28-12-11-23-17-29-35(39)18-24(16-27-25-7-3-1-5-21(25)15-22-6-2-4-8-26(22)27)31(38)33-34(35,30(23)32(28)40-33)13-14-36(29)19-20-9-10-20/h1-8,11-12,15-16,20,29,33,37,39H,9-10,13-14,17-19H2/t29-,33+,34?,35-/m1/s1
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17n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))
BDBM50013025
PNG
(2,6-Dimethyl-4-(5-methyl-3-phenyl-isoxazol-4-yl)-1...)
Show SMILES CCOC(=O)C1C(c2c(C)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:29,t:26|
Show InChI InChI=1S/C23H26N2O5/c1-6-28-22(26)17-13(3)24-14(4)18(23(27)29-7-2)20(17)19-15(5)30-25-21(19)16-11-9-8-10-12-16/h8-12,17,20H,6-7H2,1-5H3
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22n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane.


J Med Chem 33: 2255-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KS6QHH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50056627
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(2-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc2ccccc2c1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-10-9-22-15-25-31(35)16-23(14-19-7-8-20-3-1-2-4-21(20)13-19)27(34)29-30(31,26(22)28(24)36-29)11-12-32(25)17-18-5-6-18/h1-4,7-10,13-14,18,25,29,33,35H,5-6,11-12,15-17H2/t25-,29+,30?,31-/m1/s1
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23n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50454798
PNG
(7-Benzylidenenaltrexone | BNTX)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1
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26n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50013022
PNG
(4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2C)C(C(=O)OCC)=C(C)N=C1C |c:23,t:20|
Show InChI InChI=1S/C18H24N2O5/c1-7-23-17(21)14-9(3)19-10(4)15(18(22)24-8-2)16(14)13-11(5)20-25-12(13)6/h14,16H,7-8H2,1-6H3
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27n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane


J Med Chem 33: 2255-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KS6QHH
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50013022
PNG
(4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2C)C(C(=O)OCC)=C(C)N=C1C |c:23,t:20|
Show InChI InChI=1S/C18H24N2O5/c1-7-23-17(21)14-9(3)19-10(4)15(18(22)24-8-2)16(14)13-11(5)20-25-12(13)6/h14,16H,7-8H2,1-6H3
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29n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane.


J Med Chem 33: 2255-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KS6QHH
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))
BDBM50013022
PNG
(4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2C)C(C(=O)OCC)=C(C)N=C1C |c:23,t:20|
Show InChI InChI=1S/C18H24N2O5/c1-7-23-17(21)14-9(3)19-10(4)15(18(22)24-8-2)16(14)13-11(5)20-25-12(13)6/h14,16H,7-8H2,1-6H3
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30n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane.


J Med Chem 33: 2255-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KS6QHH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50450986
PNG
(CHEMBL101519)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C\c1ccccc1)C2=O)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12-/t21-,25+,26+,27-/m1/s1
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33n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))
BDBM50013022
PNG
(4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2C)C(C(=O)OCC)=C(C)N=C1C |c:23,t:20|
Show InChI InChI=1S/C18H24N2O5/c1-7-23-17(21)14-9(3)19-10(4)15(18(22)24-8-2)16(14)13-11(5)20-25-12(13)6/h14,16H,7-8H2,1-6H3
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33n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane


J Med Chem 33: 2255-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KS6QHH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50056625
PNG
(15-[1-(9-anthryl)-(Z)-methylidene]-4-cyclopropylme...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1c2ccccc2cc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C35H31NO4/c37-28-12-11-23-17-29-35(39)18-24(16-27-25-7-3-1-5-21(25)15-22-6-2-4-8-26(22)27)31(38)33-34(35,30(23)32(28)40-33)13-14-36(29)19-20-9-10-20/h1-8,11-12,15-16,20,29,33,37,39H,9-10,13-14,17-19H2/t29-,33+,34?,35-/m1/s1
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34n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50450986
PNG
(CHEMBL101519)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C\c1ccccc1)C2=O)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12-/t21-,25+,26+,27-/m1/s1
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34n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50056626
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(1-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1cccc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-11-10-21-15-25-31(35)16-22(14-20-6-3-5-19-4-1-2-7-23(19)20)27(34)29-30(31,26(21)28(24)36-29)12-13-32(25)17-18-8-9-18/h1-7,10-11,14,18,25,29,33,35H,8-9,12-13,15-17H2/t25-,29+,30?,31-/m1/s1
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36n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50056626
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(1-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1cccc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-11-10-21-15-25-31(35)16-22(14-20-6-3-5-19-4-1-2-7-23(19)20)27(34)29-30(31,26(21)28(24)36-29)12-13-32(25)17-18-8-9-18/h1-7,10-11,14,18,25,29,33,35H,8-9,12-13,15-17H2/t25-,29+,30?,31-/m1/s1
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37n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50056627
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(2-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc2ccccc2c1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-10-9-22-15-25-31(35)16-23(14-19-7-8-20-3-1-2-4-21(20)13-19)27(34)29-30(31,26(22)28(24)36-29)11-12-32(25)17-18-5-6-18/h1-4,7-10,13-14,18,25,29,33,35H,5-6,11-12,15-17H2/t25-,29+,30?,31-/m1/s1
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39n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50056629
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(4-pheny...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc(cc1)-c1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C33H31NO4/c35-26-13-12-24-17-27-33(37)18-25(16-20-8-10-23(11-9-20)22-4-2-1-3-5-22)29(36)31-32(33,28(24)30(26)38-31)14-15-34(27)19-21-6-7-21/h1-5,8-13,16,21,27,31,35,37H,6-7,14-15,17-19H2/t27-,31+,32?,33-/m1/s1
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47n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50454798
PNG
(7-Benzylidenenaltrexone | BNTX)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1
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48n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50056629
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(4-pheny...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc(cc1)-c1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C33H31NO4/c35-26-13-12-24-17-27-33(37)18-25(16-20-8-10-23(11-9-20)22-4-2-1-3-5-22)29(36)31-32(33,28(24)30(26)38-31)14-15-34(27)19-21-6-7-21/h1-5,8-13,16,21,27,31,35,37H,6-7,14-15,17-19H2/t27-,31+,32?,33-/m1/s1
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50n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50056632
PNG
(10,17-dihydroxy-4-isobutyl-15-[1-(2-naphthyl)-(Z)-...)
Show SMILES CC(C)CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC(=Cc1ccc2ccccc2c1)C4=O)ccc5O |w:19.22,THB:3:4:15:11.12.13|
Show InChI InChI=1S/C31H31NO4/c1-18(2)17-32-12-11-30-26-22-9-10-24(33)28(26)36-29(30)27(34)23(16-31(30,35)25(32)15-22)14-19-7-8-20-5-3-4-6-21(20)13-19/h3-10,13-14,18,25,29,33,35H,11-12,15-17H2,1-2H3/t25-,29+,30?,31-/m1/s1
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51n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50013021
PNG
(4-(5-Ethyl-3-methyl-isoxazol-4-yl)-2,6-dimethyl-1,...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CC)C(C(=O)OCC)=C(C)N=C1C |c:24,t:21|
Show InChI InChI=1S/C19H26N2O5/c1-7-13-14(12(6)21-26-13)17-15(18(22)24-8-2)10(4)20-11(5)16(17)19(23)25-9-3/h15,17H,7-9H2,1-6H3
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52n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane


J Med Chem 33: 2255-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KS6QHH
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))
BDBM50013021
PNG
(4-(5-Ethyl-3-methyl-isoxazol-4-yl)-2,6-dimethyl-1,...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CC)C(C(=O)OCC)=C(C)N=C1C |c:24,t:21|
Show InChI InChI=1S/C19H26N2O5/c1-7-13-14(12(6)21-26-13)17-15(18(22)24-8-2)10(4)20-11(5)16(17)19(23)25-9-3/h15,17H,7-9H2,1-6H3
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63n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane


J Med Chem 33: 2255-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KS6QHH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50056627
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(2-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc2ccccc2c1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-10-9-22-15-25-31(35)16-23(14-19-7-8-20-3-1-2-4-21(20)13-19)27(34)29-30(31,26(22)28(24)36-29)11-12-32(25)17-18-5-6-18/h1-4,7-10,13-14,18,25,29,33,35H,5-6,11-12,15-17H2/t25-,29+,30?,31-/m1/s1
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74n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50056629
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(4-pheny...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc(cc1)-c1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C33H31NO4/c35-26-13-12-24-17-27-33(37)18-25(16-20-8-10-23(11-9-20)22-4-2-1-3-5-22)29(36)31-32(33,28(24)30(26)38-31)14-15-34(27)19-21-6-7-21/h1-5,8-13,16,21,27,31,35,37H,6-7,14-15,17-19H2/t27-,31+,32?,33-/m1/s1
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75n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))
BDBM50013026
PNG
(2,6-Dimethyl-4-(5-pentyl-3-phenyl-isoxazol-4-yl)-1...)
Show SMILES CCCCCc1onc(c1C1C(C(=O)OCC)C(C)=NC(C)=C1C(=O)OCC)-c1ccccc1 |c:19,22|
Show InChI InChI=1S/C27H34N2O5/c1-6-9-11-16-20-23(25(29-34-20)19-14-12-10-13-15-19)24-21(26(30)32-7-2)17(4)28-18(5)22(24)27(31)33-8-3/h10,12-15,21,24H,6-9,11,16H2,1-5H3
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78n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane


J Med Chem 33: 2255-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KS6QHH
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50013026
PNG
(2,6-Dimethyl-4-(5-pentyl-3-phenyl-isoxazol-4-yl)-1...)
Show SMILES CCCCCc1onc(c1C1C(C(=O)OCC)C(C)=NC(C)=C1C(=O)OCC)-c1ccccc1 |c:19,22|
Show InChI InChI=1S/C27H34N2O5/c1-6-9-11-16-20-23(25(29-34-20)19-14-12-10-13-15-19)24-21(26(30)32-7-2)17(4)28-18(5)22(24)27(31)33-8-3/h10,12-15,21,24H,6-9,11,16H2,1-5H3
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79n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane


J Med Chem 33: 2255-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KS6QHH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50056625
PNG
(15-[1-(9-anthryl)-(Z)-methylidene]-4-cyclopropylme...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1c2ccccc2cc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C35H31NO4/c37-28-12-11-23-17-29-35(39)18-24(16-27-25-7-3-1-5-21(25)15-22-6-2-4-8-26(22)27)31(38)33-34(35,30(23)32(28)40-33)13-14-36(29)19-20-9-10-20/h1-8,11-12,15-16,20,29,33,37,39H,9-10,13-14,17-19H2/t29-,33+,34?,35-/m1/s1
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100n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50056625
PNG
(15-[1-(9-anthryl)-(Z)-methylidene]-4-cyclopropylme...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1c2ccccc2cc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C35H31NO4/c37-28-12-11-23-17-29-35(39)18-24(16-27-25-7-3-1-5-21(25)15-22-6-2-4-8-26(22)27)31(38)33-34(35,30(23)32(28)40-33)13-14-36(29)19-20-9-10-20/h1-8,11-12,15-16,20,29,33,37,39H,9-10,13-14,17-19H2/t29-,33+,34?,35-/m1/s1
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110n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50056626
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(1-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1cccc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-11-10-21-15-25-31(35)16-22(14-20-6-3-5-19-4-1-2-7-23(19)20)27(34)29-30(31,26(21)28(24)36-29)12-13-32(25)17-18-8-9-18/h1-7,10-11,14,18,25,29,33,35H,8-9,12-13,15-17H2/t25-,29+,30?,31-/m1/s1
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120n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50013024
PNG
(4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...)
Show SMILES COC(=O)C1C(c2c(C)noc2C)C(C(=O)OC)=C(C)N=C1C |c:21,t:18|
Show InChI InChI=1S/C16H20N2O5/c1-7-12(15(19)21-5)14(11-9(3)18-23-10(11)4)13(8(2)17-7)16(20)22-6/h12,14H,1-6H3
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122n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane


J Med Chem 33: 2255-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KS6QHH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50056625
PNG
(15-[1-(9-anthryl)-(Z)-methylidene]-4-cyclopropylme...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1c2ccccc2cc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C35H31NO4/c37-28-12-11-23-17-29-35(39)18-24(16-27-25-7-3-1-5-21(25)15-22-6-2-4-8-26(22)27)31(38)33-34(35,30(23)32(28)40-33)13-14-36(29)19-20-9-10-20/h1-8,11-12,15-16,20,29,33,37,39H,9-10,13-14,17-19H2/t29-,33+,34?,35-/m1/s1
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170n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))
BDBM50013024
PNG
(4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...)
Show SMILES COC(=O)C1C(c2c(C)noc2C)C(C(=O)OC)=C(C)N=C1C |c:21,t:18|
Show InChI InChI=1S/C16H20N2O5/c1-7-12(15(19)21-5)14(11-9(3)18-23-10(11)4)13(8(2)17-7)16(20)22-6/h12,14H,1-6H3
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173n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane


J Med Chem 33: 2255-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KS6QHH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50056632
PNG
(10,17-dihydroxy-4-isobutyl-15-[1-(2-naphthyl)-(Z)-...)
Show SMILES CC(C)CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC(=Cc1ccc2ccccc2c1)C4=O)ccc5O |w:19.22,THB:3:4:15:11.12.13|
Show InChI InChI=1S/C31H31NO4/c1-18(2)17-32-12-11-30-26-22-9-10-24(33)28(26)36-29(30)27(34)23(16-31(30,35)25(32)15-22)14-19-7-8-20-5-3-4-6-21(20)13-19/h3-10,13-14,18,25,29,33,35H,11-12,15-17H2,1-2H3/t25-,29+,30?,31-/m1/s1
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180n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50056629
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(4-pheny...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc(cc1)-c1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C33H31NO4/c35-26-13-12-24-17-27-33(37)18-25(16-20-8-10-23(11-9-20)22-4-2-1-3-5-22)29(36)31-32(33,28(24)30(26)38-31)14-15-34(27)19-21-6-7-21/h1-5,8-13,16,21,27,31,35,37H,6-7,14-15,17-19H2/t27-,31+,32?,33-/m1/s1
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190n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50056629
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(4-pheny...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc(cc1)-c1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C33H31NO4/c35-26-13-12-24-17-27-33(37)18-25(16-20-8-10-23(11-9-20)22-4-2-1-3-5-22)29(36)31-32(33,28(24)30(26)38-31)14-15-34(27)19-21-6-7-21/h1-5,8-13,16,21,27,31,35,37H,6-7,14-15,17-19H2/t27-,31+,32?,33-/m1/s1
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210n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))
BDBM50013023
PNG
(4-(5-Isopropyl-3-phenyl-isoxazol-4-yl)-2,6-dimethy...)
Show SMILES CCOC(=O)C1C(c2c(onc2-c2ccccc2)C(C)C)C(C(=O)OCC)=C(C)N=C1C |c:31,t:28|
Show InChI InChI=1S/C25H30N2O5/c1-7-30-24(28)18-15(5)26-16(6)19(25(29)31-8-2)20(18)21-22(17-12-10-9-11-13-17)27-32-23(21)14(3)4/h9-14,18,20H,7-8H2,1-6H3
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254n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane


J Med Chem 33: 2255-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KS6QHH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50056629
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(4-pheny...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc(cc1)-c1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C33H31NO4/c35-26-13-12-24-17-27-33(37)18-25(16-20-8-10-23(11-9-20)22-4-2-1-3-5-22)29(36)31-32(33,28(24)30(26)38-31)14-15-34(27)19-21-6-7-21/h1-5,8-13,16,21,27,31,35,37H,6-7,14-15,17-19H2/t27-,31+,32?,33-/m1/s1
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400n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50013023
PNG
(4-(5-Isopropyl-3-phenyl-isoxazol-4-yl)-2,6-dimethy...)
Show SMILES CCOC(=O)C1C(c2c(onc2-c2ccccc2)C(C)C)C(C(=O)OCC)=C(C)N=C1C |c:31,t:28|
Show InChI InChI=1S/C25H30N2O5/c1-7-30-24(28)18-15(5)26-16(6)19(25(29)31-8-2)20(18)21-22(17-12-10-9-11-13-17)27-32-23(21)14(3)4/h9-14,18,20H,7-8H2,1-6H3
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417n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane


J Med Chem 33: 2255-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KS6QHH
More data for this
Ligand-Target Pair