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Compile Data Set for Download or QSAR

Found 70 hits of kd data for polymerid = 3138,49000937,50000737,50000738,50001259,50003156,50003157,50003476,8281   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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n/an/an/a 2.10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity against the Opioid receptor delta 1


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001551
PNG
(22-cyclopropylmethyl-9-isothiocyanato-14-oxa-11,22...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2c(cccc2c1CC35O)N=C=S
Show InChI InChI=1S/C27H25N3O3S/c31-19-7-6-15-10-20-27(32)11-17-16-2-1-3-18(28-13-34)22(16)29-23(17)25-26(27,21(15)24(19)33-25)8-9-30(20)12-14-4-5-14/h1-3,6-7,14,20,25,29,31-32H,4-5,8-12H2
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n/an/an/a 2.30n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for its effect towards [3H]-DSLET binding to Opioid receptor delta 2 at 4 nM concentration


J Med Chem 35: 4086-91 (1992)


Article DOI: 10.1021/jm00100a014
BindingDB Entry DOI: 10.7270/Q27S7MQ7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001554
PNG
(22-cyclopropylmethyl-6-isothiocyanato-14-oxa-11,22...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2cccc(N=C=S)c2c1CC35O
Show InChI InChI=1S/C27H25N3O3S/c31-19-7-6-15-10-20-27(32)11-16-21-17(28-13-34)2-1-3-18(21)29-23(16)25-26(27,22(15)24(19)33-25)8-9-30(20)12-14-4-5-14/h1-3,6-7,14,20,25,29,31-32H,4-5,8-12H2
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n/an/an/a 4.30n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for its effect towards [3H]-DSLET binding to Opioid receptor delta 2 at 4 nM concentration


J Med Chem 35: 4086-91 (1992)


Article DOI: 10.1021/jm00100a014
BindingDB Entry DOI: 10.7270/Q27S7MQ7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001553
PNG
(22-cyclopropylmethyl-8-isothiocyanato-14-oxa-11,22...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2cc(ccc2c1CC35O)N=C=S
Show InChI InChI=1S/C27H25N3O3S/c31-20-6-3-15-9-21-27(32)11-18-17-5-4-16(28-13-34)10-19(17)29-23(18)25-26(27,22(15)24(20)33-25)7-8-30(21)12-14-1-2-14/h3-6,10,14,21,25,29,31-32H,1-2,7-9,11-12H2
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n/an/an/a 5.60n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for its effect towards [3H]-DPDPE binding to Opioid receptor delta 1 at 4 nM concentration expressed as dissociation constant


J Med Chem 35: 4086-91 (1992)


Article DOI: 10.1021/jm00100a014
BindingDB Entry DOI: 10.7270/Q27S7MQ7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001552
PNG
(22-cyclopropylmethyl-7-isothiocyanato-14-oxa-11,22...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccc(cc2c1CC35O)N=C=S
Show InChI InChI=1S/C27H25N3O3S/c31-20-6-3-15-9-21-27(32)11-18-17-10-16(28-13-34)4-5-19(17)29-23(18)25-26(27,22(15)24(20)33-25)7-8-30(21)12-14-1-2-14/h3-6,10,14,21,25,29,31-32H,1-2,7-9,11-12H2
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n/an/an/a 5.90n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for its effect towards [3H]-DPDPE binding to Opioid receptor delta 1 at 4 nM concentration expressed as dissociation constant


J Med Chem 35: 4086-91 (1992)


Article DOI: 10.1021/jm00100a014
BindingDB Entry DOI: 10.7270/Q27S7MQ7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50021328
PNG
(3-Cyclopropylmethyl-11-ethyl-8-hydroxy-6-methyl-3,...)
Show SMILES CCC1C2N(CC3CC3)CCC1(C)c1cc(O)ccc1C2=O
Show InChI InChI=1S/C19H25NO2/c1-3-15-17-18(22)14-7-6-13(21)10-16(14)19(15,2)8-9-20(17)11-12-4-5-12/h6-7,10,12,15,17,21H,3-5,8-9,11H2,1-2H3
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n/an/an/a 14n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity against the Opioid receptor delta 1


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001554
PNG
(22-cyclopropylmethyl-6-isothiocyanato-14-oxa-11,22...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2cccc(N=C=S)c2c1CC35O
Show InChI InChI=1S/C27H25N3O3S/c31-19-7-6-15-10-20-27(32)11-16-21-17(28-13-34)2-1-3-18(21)29-23(16)25-26(27,22(15)24(19)33-25)8-9-30(20)12-14-4-5-14/h1-3,6-7,14,20,25,29,31-32H,4-5,8-12H2
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n/an/an/a 15n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for its effect towards [3H]-DSLET binding to Opioid receptor delta 2 at 4 nM concentration


J Med Chem 35: 4086-91 (1992)


Article DOI: 10.1021/jm00100a014
BindingDB Entry DOI: 10.7270/Q27S7MQ7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001551
PNG
(22-cyclopropylmethyl-9-isothiocyanato-14-oxa-11,22...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2c(cccc2c1CC35O)N=C=S
Show InChI InChI=1S/C27H25N3O3S/c31-19-7-6-15-10-20-27(32)11-17-16-2-1-3-18(28-13-34)22(16)29-23(17)25-26(27,21(15)24(19)33-25)8-9-30(20)12-14-4-5-14/h1-3,6-7,14,20,25,29,31-32H,4-5,8-12H2
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n/an/an/a 16n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for its effect towards [3H]-DPDPE binding to Opioid receptor delta 1 at 4 nM concentration expressed as dissociation constant


J Med Chem 35: 4086-91 (1992)


Article DOI: 10.1021/jm00100a014
BindingDB Entry DOI: 10.7270/Q27S7MQ7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/an/a 18n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity against the Opioid receptor delta 1


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001552
PNG
(22-cyclopropylmethyl-7-isothiocyanato-14-oxa-11,22...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccc(cc2c1CC35O)N=C=S
Show InChI InChI=1S/C27H25N3O3S/c31-20-6-3-15-9-21-27(32)11-18-17-10-16(28-13-34)4-5-19(17)29-23(18)25-26(27,22(15)24(20)33-25)7-8-30(21)12-14-1-2-14/h3-6,10,14,21,25,29,31-32H,1-2,7-9,11-12H2
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n/an/an/a 37n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for its effect towards [3H]-DPDPE binding to Opioid receptor delta 1 at 0.25 nM concentration expressed as dissociation consta...


J Med Chem 35: 4086-91 (1992)


Article DOI: 10.1021/jm00100a014
BindingDB Entry DOI: 10.7270/Q27S7MQ7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001553
PNG
(22-cyclopropylmethyl-8-isothiocyanato-14-oxa-11,22...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2cc(ccc2c1CC35O)N=C=S
Show InChI InChI=1S/C27H25N3O3S/c31-20-6-3-15-9-21-27(32)11-18-17-5-4-16(28-13-34)10-19(17)29-23(18)25-26(27,22(15)24(20)33-25)7-8-30(21)12-14-1-2-14/h3-6,10,14,21,25,29,31-32H,1-2,7-9,11-12H2
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n/an/an/a 40n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for its effect towards [3H]-DSLET binding to Opioid receptor delta 2 at 0.25 nM concentration


J Med Chem 35: 4086-91 (1992)


Article DOI: 10.1021/jm00100a014
BindingDB Entry DOI: 10.7270/Q27S7MQ7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001551
PNG
(22-cyclopropylmethyl-9-isothiocyanato-14-oxa-11,22...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2c(cccc2c1CC35O)N=C=S
Show InChI InChI=1S/C27H25N3O3S/c31-19-7-6-15-10-20-27(32)11-17-16-2-1-3-18(28-13-34)22(16)29-23(17)25-26(27,21(15)24(19)33-25)8-9-30(20)12-14-4-5-14/h1-3,6-7,14,20,25,29,31-32H,4-5,8-12H2
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n/an/an/a 61n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for its effect towards [3H]-DSLET binding to Opioid receptor delta 2 at 4 nM concentration


J Med Chem 35: 4086-91 (1992)


Article DOI: 10.1021/jm00100a014
BindingDB Entry DOI: 10.7270/Q27S7MQ7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50452273
PNG
(DIHYDROMORPHINE | Dihydromorphine)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/an/a 100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity against the Opioid receptor delta 1


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145062
PNG
(1-[12b-hydroxy-1b,3a,10b-trimethyl-2,3,4,5-tetra(m...)
Show SMILES COC(=O)C12O[C@@H]1C(=C)C[C@@]1(O)[C@@H]3CC[C@@]4(C)[C@@H]5C=CC(=O)OC[C@]5(C(C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4[C@@]3(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]21C
Show InChI InChI=1S/C40H52O16/c1-18-16-39(48)26-14-15-35(8)25-12-13-27(46)50-17-38(25,19(2)51-20(3)41)31(53-22(5)43)28(52-21(4)42)29(35)36(26,9)32(54-23(6)44)33(55-24(7)45)37(39,10)40(30(18)56-40)34(47)49-11/h12-13,19,25-26,28-33,48H,1,14-17H2,2-11H3/t19?,25-,26+,28-,29-,30+,31-,32+,33-,35-,36-,37+,38+,39+,40?/m0/s1
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n/an/an/a 100n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50019091
PNG
(3-(3-Hydroxy-phenyl)-2-methyl-1-phenethyl-piperidi...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CCc2ccccc2)[C@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C23H29NO3/c1-3-27-22(26)23(20-11-7-12-21(25)17-20)14-8-15-24(18(23)2)16-13-19-9-5-4-6-10-19/h4-7,9-12,17-18,25H,3,8,13-16H2,1-2H3/t18-,23+/m0/s1
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n/an/an/a 170n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 in rat brain membrane was determined by using curve -fitting LIGAND([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC...


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50019093
PNG
(1-Cyclopropylmethyl-3-(3-hydroxy-phenyl)-piperidin...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C18H25NO3/c1-2-22-17(21)18(15-5-3-6-16(20)11-15)9-4-10-19(13-18)12-14-7-8-14/h3,5-6,11,14,20H,2,4,7-10,12-13H2,1H3/t18-/m1/s1
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n/an/an/a 260n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 in rat brain membrane was determined by using curve -fitting LIGAND([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC...


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145061
PNG
(1-{6-[4-(5-Acetyl-4,7-dimethoxy-benzofuran-6-yloxy...)
Show SMILES COc1c(Oc2cc(C)c(Oc3c(OC)c4occc4c(OC)c3C(C)=O)cc2C)c(C(C)=O)c(OC)c2ccoc12
Show InChI InChI=1S/C32H30O10/c1-15-13-22(42-30-24(18(4)34)26(36-6)20-10-12-40-28(20)32(30)38-8)16(2)14-21(15)41-29-23(17(3)33)25(35-5)19-9-11-39-27(19)31(29)37-7/h9-14H,1-8H3
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n/an/an/a 280n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145050
PNG
(1-(6-Hydroxy-4,7-dimethoxy-benzofuran-5-yl)-3-phen...)
Show SMILES COc1c(O)c(C(=O)\C=C\c2ccccc2)c(OC)c2ccoc12
Show InChI InChI=1S/C19H16O5/c1-22-17-13-10-11-24-18(13)19(23-2)16(21)15(17)14(20)9-8-12-6-4-3-5-7-12/h3-11,21H,1-2H3/b9-8+
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n/an/an/a 400n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145055
PNG
(1-{6-[4-(5-Acetyl-4,7-dimethoxy-benzofuran-6-yloxy...)
Show SMILES COc1c(Oc2cc(C)c(Oc3c(OC)c4occc4c(OC)c3C(C)=O)c(C)c2)c(C(C)=O)c(OC)c2ccoc12
Show InChI InChI=1S/C32H30O10/c1-15-13-19(41-29-22(17(3)33)25(35-5)20-9-11-39-27(20)31(29)37-7)14-16(2)24(15)42-30-23(18(4)34)26(36-6)21-10-12-40-28(21)32(30)38-8/h9-14H,1-8H3
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n/an/an/a 560n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 588n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor affinity against the Opioid receptor delta 1 by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145053
PNG
(1-(6-Hydroxy-4,7-dimethoxy-benzofuran-5-yl)-3-phen...)
Show SMILES COc1c(O)c(C(=O)CCc2ccccc2)c(OC)c2ccoc12
Show InChI InChI=1S/C19H18O5/c1-22-17-13-10-11-24-18(13)19(23-2)16(21)15(17)14(20)9-8-12-6-4-3-5-7-12/h3-7,10-11,21H,8-9H2,1-2H3
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n/an/an/a 600n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50019097
PNG
(1-Cyclopropylmethyl-3-(3-hydroxy-phenyl)-2-methyl-...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CC2CC2)[C@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C19H27NO3/c1-3-23-18(22)19(16-6-4-7-17(21)12-16)10-5-11-20(14(19)2)13-15-8-9-15/h4,6-7,12,14-15,21H,3,5,8-11,13H2,1-2H3/t14-,19+/m0/s1
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n/an/an/a 625n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 in rat brain membrane was determined by using curve -fitting LIGAND([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC...


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145049
PNG
(1-{6-[6-(5-Acetyl-4,7-dimethoxy-benzofuran-6-yloxy...)
Show SMILES COc1c(C(C)=O)c(OCCCCCCOc2c(OC)c3occc3c(OC)c2C(C)=O)c(OC)c2occc12
Show InChI InChI=1S/C30H34O10/c1-17(31)21-23(33-3)19-11-15-39-25(19)29(35-5)27(21)37-13-9-7-8-10-14-38-28-22(18(2)32)24(34-4)20-12-16-40-26(20)30(28)36-6/h11-12,15-16H,7-10,13-14H2,1-6H3
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n/an/an/a 680n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145059
PNG
((E)-1-(6-Hydroxy-4,7-dimethoxy-benzofuran-5-yl)-3-...)
Show SMILES COc1c(O)c(C(=O)\C=C\c2ccc(C)cc2)c(OC)c2ccoc12
Show InChI InChI=1S/C20H18O5/c1-12-4-6-13(7-5-12)8-9-15(21)16-17(22)20(24-3)19-14(10-11-25-19)18(16)23-2/h4-11,22H,1-3H3/b9-8+
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n/an/an/a 700n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145048
PNG
((E)-1-(6-Hydroxy-4,7-dimethoxy-benzofuran-5-yl)-3-...)
Show SMILES COc1c(O)c(C(=O)\C=C\c2cccc(O)c2)c(OC)c2ccoc12
Show InChI InChI=1S/C19H16O6/c1-23-17-13-8-9-25-18(13)19(24-2)16(22)15(17)14(21)7-6-11-4-3-5-12(20)10-11/h3-10,20,22H,1-2H3/b7-6+
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n/an/an/a 700n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50019094
PNG
(1-Allyl-3-(3-hydroxy-phenyl)-piperidine-3-carboxyl...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C17H23NO3/c1-3-10-18-11-6-9-17(13-18,16(20)21-4-2)14-7-5-8-15(19)12-14/h3,5,7-8,12,19H,1,4,6,9-11,13H2,2H3/t17-/m1/s1
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n/an/an/a 715n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 in rat brain membrane was determined by using curve -fitting LIGAND([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC...


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50019095
PNG
(1-Allyl-3-(3-hydroxy-phenyl)-2-methyl-piperidine-3...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CC=C)[C@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C18H25NO3/c1-4-11-19-12-7-10-18(14(19)3,17(21)22-5-2)15-8-6-9-16(20)13-15/h4,6,8-9,13-14,20H,1,5,7,10-12H2,2-3H3/t14-,18+/m0/s1
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n/an/an/a 770n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 in rat brain membrane was determined by using curve -fitting LIGAND([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC...


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145047
PNG
((E)-3-(4-Bromo-thiophen-2-yl)-1-(6-hydroxy-4,7-dim...)
Show SMILES COc1c(O)c(C(=O)\C=C\c2cc(Br)cs2)c(OC)c2ccoc12
Show InChI InChI=1S/C17H13BrO5S/c1-21-15-11-5-6-23-16(11)17(22-2)14(20)13(15)12(19)4-3-10-7-9(18)8-24-10/h3-8,20H,1-2H3/b4-3+
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n/an/an/a 800n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145054
PNG
((E)-1-(6-Hydroxy-4,7-dimethoxy-benzofuran-5-yl)-3-...)
Show SMILES COc1cccc(\C=C\C(=O)c2c(O)c(OC)c3occc3c2OC)c1
Show InChI InChI=1S/C20H18O6/c1-23-13-6-4-5-12(11-13)7-8-15(21)16-17(22)20(25-3)19-14(9-10-26-19)18(16)24-2/h4-11,22H,1-3H3/b8-7+
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n/an/an/a 800n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145056
PNG
(1-{6-[5-(5-Acetyl-4,7-dimethoxy-benzofuran-6-yloxy...)
Show SMILES COc1c(C(C)=O)c(OCCCCCOc2c(OC)c3occc3c(OC)c2C(C)=O)c(OC)c2occc12
Show InChI InChI=1S/C29H32O10/c1-16(30)20-22(32-3)18-10-14-38-24(18)28(34-5)26(20)36-12-8-7-9-13-37-27-21(17(2)31)23(33-4)19-11-15-39-25(19)29(27)35-6/h10-11,14-15H,7-9,12-13H2,1-6H3
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n/an/an/a 820n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50019098
PNG
(3-(3-Hydroxy-phenyl)-1,2-dimethyl-piperidine-3-car...)
Show SMILES CCOC(=O)[C@@]1(CCCN(C)[C@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO3/c1-4-20-15(19)16(9-6-10-17(3)12(16)2)13-7-5-8-14(18)11-13/h5,7-8,11-12,18H,4,6,9-10H2,1-3H3/t12-,16+/m0/s1
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n/an/an/a 910n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 in rat brain membrane was determined by using curve -fitting LIGAND([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC...


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145064
PNG
((E)-1-(6-Hydroxy-4,7-dimethoxy-benzofuran-5-yl)-3-...)
Show SMILES COc1c(O)c(C(=O)\C=C\c2cccs2)c(OC)c2ccoc12
Show InChI InChI=1S/C17H14O5S/c1-20-15-11-7-8-22-16(11)17(21-2)14(19)13(15)12(18)6-5-10-4-3-9-23-10/h3-9,19H,1-2H3/b6-5+
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n/an/an/a 1.00E+3n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145046
PNG
(1-{6-[4-(5-Acetyl-4-methoxy-benzofuran-6-yloxymeth...)
Show SMILES COc1c(C(C)=O)c(OCc2ccc(COc3cc4occc4c(OC)c3C(C)=O)cc2)cc2occc12
Show InChI InChI=1S/C30H26O8/c1-17(31)27-25(13-23-21(9-11-35-23)29(27)33-3)37-15-19-5-7-20(8-6-19)16-38-26-14-24-22(10-12-36-24)30(34-4)28(26)18(2)32/h5-14H,15-16H2,1-4H3
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n/an/an/a 1.00E+3n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145069
PNG
(1-(6-Hydroxy-4,7-dimethoxy-2,3-dihydro-benzofuran-...)
Show SMILES COc1c2OCCc2c(OC)c(C(=O)CCc2ccccc2)c1O
Show InChI InChI=1S/C19H20O5/c1-22-17-13-10-11-24-18(13)19(23-2)16(21)15(17)14(20)9-8-12-6-4-3-5-7-12/h3-7,21H,8-11H2,1-2H3
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n/an/an/a 1.50E+3n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145063
PNG
(1-(6-{4-[6-(1-Hydroxy-ethyl)-4,7-dimethoxy-benzofu...)
Show SMILES COc1c(OCc2ccc(COc3c(OC)c4occc4c(OC)c3C(C)O)cc2)c(C(C)O)c(OC)c2occc12
Show InChI InChI=1S/C32H34O10/c1-17(33)23-25(35-3)21-11-13-40-28(21)32(38-6)31(23)42-16-20-9-7-19(8-10-20)15-41-30-24(18(2)34)29(37-5)27-22(12-14-39-27)26(30)36-4/h7-14,17-18,33-34H,15-16H2,1-6H3
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n/an/an/a 2.00E+3n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 2.17E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor affinity against the Opioid receptor delta 1 by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 2.70E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor affinity against the Opioid receptor delta 1 by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145067
PNG
(1-{6-[7-(5-Acetyl-4,7-dimethoxy-benzofuran-6-yloxy...)
Show SMILES COc1c(C(C)=O)c(OCCCCCCCOc2c(OC)c3occc3c(OC)c2C(C)=O)c(OC)c2occc12
Show InChI InChI=1S/C31H36O10/c1-18(32)22-24(34-3)20-12-16-40-26(20)30(36-5)28(22)38-14-10-8-7-9-11-15-39-29-23(19(2)33)25(35-4)21-13-17-41-27(21)31(29)37-6/h12-13,16-17H,7-11,14-15H2,1-6H3
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n/an/an/a 3.00E+3n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145070
PNG
(1-{6-[4-(5-Acetyl-4,7-dimethoxy-benzofuran-6-yloxy...)
Show SMILES COc1c(OCc2ccc(COc3c(OC)c4occc4c(OC)c3C(C)=O)cc2)c(C(C)=O)c(OC)c2ccoc12
Show InChI InChI=1S/C32H30O10/c1-17(33)23-25(35-3)21-11-13-39-27(21)31(37-5)29(23)41-15-19-7-9-20(10-8-19)16-42-30-24(18(2)34)26(36-4)22-12-14-40-28(22)32(30)38-6/h7-14H,15-16H2,1-6H3
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n/an/an/a 3.10E+3n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145052
PNG
(1-{6-[4-(5-Acetyl-4,7-dimethoxy-benzofuran-6-yloxy...)
Show SMILES COc1c(C(C)=O)c(OCCCCOc2c(OC)c3occc3c(OC)c2C(C)=O)c(OC)c2occc12
Show InChI InChI=1S/C28H30O10/c1-15(29)19-21(31-3)17-9-13-37-23(17)27(33-5)25(19)35-11-7-8-12-36-26-20(16(2)30)22(32-4)18-10-14-38-24(18)28(26)34-6/h9-10,13-14H,7-8,11-12H2,1-6H3
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n/an/an/a 3.50E+3n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 4.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor affinity against the Opioid receptor delta 1 by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 4.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor affinity against the Opioid receptor delta 1 by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50019092
PNG
(3-(3-Hydroxy-phenyl)-1-methyl-piperidine-3-carboxy...)
Show SMILES CCOC(=O)[C@@]1(CCCN(C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO3/c1-3-19-14(18)15(8-5-9-16(2)11-15)12-6-4-7-13(17)10-12/h4,6-7,10,17H,3,5,8-9,11H2,1-2H3/t15-/m1/s1
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n/an/an/a 4.00E+3n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 in rat brain membrane was determined by using curve -fitting LIGAND([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC...


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145051
PNG
(1-(6-{2-[2-(5-Acetyl-4,7-dimethoxy-benzofuran-6-yl...)
Show SMILES COc1c(C(C)=O)c(OCCOCCOc2c(OC)c3occc3c(OC)c2C(C)=O)c(OC)c2occc12
Show InChI InChI=1S/C28H30O11/c1-15(29)19-21(31-3)17-7-9-36-23(17)27(33-5)25(19)38-13-11-35-12-14-39-26-20(16(2)30)22(32-4)18-8-10-37-24(18)28(26)34-6/h7-10H,11-14H2,1-6H3
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n/an/an/a 4.00E+3n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 4.35E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor affinity against the Opioid receptor delta 1 by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145068
PNG
(2,5-Bis-(5-acetyl-4,7-dimethoxy-benzofuran-6-yloxy...)
Show SMILES COc1c(OCc2ccc(COc3c(OC)c4occc4c(OC)c3C(C)=O)c(c2)C(O)=O)c(C(C)=O)c(OC)c2ccoc12
Show InChI InChI=1S/C33H30O12/c1-16(34)23-25(38-3)20-9-11-42-27(20)31(40-5)29(23)44-14-18-7-8-19(22(13-18)33(36)37)15-45-30-24(17(2)35)26(39-4)21-10-12-43-28(21)32(30)41-6/h7-13H,14-15H2,1-6H3,(H,36,37)
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n/an/an/a 5.00E+3n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145065
PNG
(1-{6-[4-(5-Acetyl-4,7-dimethoxy-benzofuran-6-yloxy...)
Show SMILES COc1c(Oc2ccc(Oc3c(OC)c4occc4c(OC)c3C(C)=O)c(C)c2C)c(C(C)=O)c(OC)c2ccoc12
Show InChI InChI=1S/C32H30O10/c1-15-16(2)22(42-30-24(18(4)34)26(36-6)20-12-14-40-28(20)32(30)38-8)10-9-21(15)41-29-23(17(3)33)25(35-5)19-11-13-39-27(19)31(29)37-7/h9-14H,1-8H3
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n/an/an/a 7.10E+3n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145045
PNG
(1-(6-Benzyloxy-4,7-dimethoxy-benzofuran-5-yl)-etha...)
Show SMILES COc1c(OCc2ccccc2)c(C(C)=O)c(OC)c2ccoc12
Show InChI InChI=1S/C19H18O5/c1-12(20)15-16(21-2)14-9-10-23-17(14)19(22-3)18(15)24-11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
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n/an/an/a 1.00E+4n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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n/an/an/a 1.59E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor affinity against the Opioid receptor delta 1 by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50145058
PNG
((E)-1-(6-Hydroxy-4-methoxy-benzofuran-5-yl)-3-phen...)
Show SMILES COc1c(C(=O)\C=C\c2ccccc2)c(O)cc2occc12
Show InChI InChI=1S/C18H14O4/c1-21-18-13-9-10-22-16(13)11-15(20)17(18)14(19)8-7-12-5-3-2-4-6-12/h2-11,20H,1H3/b8-7+
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n/an/an/a 1.70E+4n/an/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes


J Med Chem 47: 2326-36 (2004)


Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM
More data for this
Ligand-Target Pair
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