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Compile Data Set for Download or QSAR

Found 40 hits of kd data for polymerid = 2124,49000882   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50035471
PNG
(2-(3,4-Dichloro-phenyl)-N-[(S)-1-(3-isothiocyanato...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(c1)N=C=S)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H23Cl2N3OS/c1-26(22(28)12-16-7-8-19(23)20(24)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)25-15-29/h4-8,11,13,21H,2-3,9-10,12,14H2,1H3/t21-/m1/s1
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n/an/an/a 2.40n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for competitive covalent binding of compound against k opioid receptor in guinea pig brain membrane using [3H]-U-69,593 as radioligand

J Med Chem 37: 4490-8 (1995)


BindingDB Entry DOI: 10.7270/Q2MW2G5Z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50035476
PNG
(CHEMBL413530 | N-[(S)-1-(3-Amino-phenyl)-2-pyrroli...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H25Cl2N3O/c1-25(21(27)12-15-7-8-18(22)19(23)11-15)20(14-26-9-2-3-10-26)16-5-4-6-17(24)13-16/h4-8,11,13,20H,2-3,9-10,12,14,24H2,1H3/t20-/m1/s1
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n/an/an/a 3.40n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for competitive covalent binding of compound against k opioid receptor in guinea pig brain membrane; using [3H]-U-69,593 as radioligand

J Med Chem 37: 4490-8 (1995)


BindingDB Entry DOI: 10.7270/Q2MW2G5Z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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n/an/an/a 4.30n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor kappa 1 in guinea pig brain membrane determined by using [3H]U-69593 as radioligand

J Med Chem 31: 2015-21 (1988)


BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		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 120n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor kappa 1 in guinea pig brain membrane determined by using [3H]U-69593 as radioligand

J Med Chem 31: 2015-21 (1988)


BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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n/an/an/a 317n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6 nM nor-BNI

Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition

Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		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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SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor kappa 1 in guinea pig brain membrane determined by using [3H]U-69593 as radioligand

J Med Chem 31: 2015-21 (1988)


BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50060065
PNG
(2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimethyl-p...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1S/C23H29N3O3/c1-14-9-18(27)10-15(2)19(14)12-21(25(3)4)23(29)26-13-17-8-6-5-7-16(17)11-20(26)22(24)28/h5-10,20-21,27H,11-13H2,1-4H3,(H2,24,28)/t20?,21-/m0/s1
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n/an/an/a 501n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity against Opioid receptor mu 1 iin a guinea pig ileum assay

J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6 nM nor-BNI

Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6 nM nor-BNI

Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition

Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition

Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranesin unblocked condition

Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranesin unblocked condition

Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6 nM nor-BNI

Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6000 nM CTAP

Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6000 nM CTAP

Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition

Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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n/an/an/a 684n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition

Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		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 830n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor kappa 1 in guinea pig brain membrane determined by using [3H]U-69593 as radioligand

J Med Chem 31: 2015-21 (1988)


BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		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 830n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor kappa 1 in guinea pig brain membrane determined by using [3H]U-69593 as radioligand

J Med Chem 31: 2015-21 (1988)


BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50060082
PNG
(2-({2-[(S)-3-(4-Hydroxy-2,6-dimethyl-phenyl)-2-met...)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(O)cc1C)N(C)C)C(O)=O
Show InChI InChI=1S/C26H33N3O5/c1-15-10-20(30)11-16(2)21(15)13-23(28(4)5)25(32)29-14-19-9-7-6-8-18(19)12-22(29)24(31)27-17(3)26(33)34/h6-11,17,22-23,30H,12-14H2,1-5H3,(H,27,31)(H,33,34)/t17-,22-,23-/m0/s1
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n/an/an/a 1.59E+3n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity against Opioid receptor mu 1 iin a guinea pig ileum assay

J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50060068
PNG
(2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimethyl-p...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(O)=O
Show InChI InChI=1S/C23H28N2O4/c1-14-9-18(26)10-15(2)19(14)12-20(24(3)4)22(27)25-13-17-8-6-5-7-16(17)11-21(25)23(28)29/h5-10,20-21,26H,11-13H2,1-4H3,(H,28,29)/t20-,21?/m0/s1
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n/an/an/a 1.59E+3n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity against Opioid receptor mu 1 iin a guinea pig ileum assay

J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50082341
PNG
(4-[((3R,4S)-1-Allyl-3-methyl-piperidin-4-yl)-pheny...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1CCN(CC=C)C[C@H]1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21-,25+/m1/s1
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n/an/an/a 1.78E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition

Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		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 1.90E+3n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor kappa 1 in guinea pig brain membrane determined by using [3H]U-69593 as radioligand

J Med Chem 31: 2015-21 (1988)


BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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n/an/an/a 2.14E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6000 nM CTAP

Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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n/an/an/a 2.14E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6000 nM CTAP

Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		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 2.20E+3n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor kappa 1 in guinea pig brain membrane determined by using [3H]U-69593 as radioligand

J Med Chem 31: 2015-21 (1988)


BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		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 2.60E+3n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor kappa 1 in guinea pig brain membrane determined by using [3H]U-69593 as radioligand

J Med Chem 31: 2015-21 (1988)


BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50082341
PNG
(4-[((3R,4S)-1-Allyl-3-methyl-piperidin-4-yl)-pheny...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1CCN(CC=C)C[C@H]1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21-,25+/m1/s1
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n/an/an/a 2.95E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6 nM nor-BNI

Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50083636
PNG
(4-[(1-Allyl-3-methyl-piperidin-4-yl)-phenyl-amino]...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CC=C)CC1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3
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n/an/an/a 3.50E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition

Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50082339
PNG
(4-[((S)-1-Allyl-3-methyl-piperidin-4-yl)-phenyl-am...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1CCN(CC=C)CC1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21?,25-/m0/s1
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n/an/an/a 3.50E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition

Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50082341
PNG
(4-[((3R,4S)-1-Allyl-3-methyl-piperidin-4-yl)-pheny...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1CCN(CC=C)C[C@H]1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21-,25+/m1/s1
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n/an/an/a 3.60E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6000 nM CTAP

Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50082339
PNG
(4-[((S)-1-Allyl-3-methyl-piperidin-4-yl)-phenyl-am...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1CCN(CC=C)CC1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21?,25-/m0/s1
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n/an/an/a 3.72E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6 nM nor-BNI

Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50083636
PNG
(4-[(1-Allyl-3-methyl-piperidin-4-yl)-phenyl-amino]...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CC=C)CC1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3
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n/an/an/a 3.72E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6 nM nor-BNI

Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50083636
PNG
(4-[(1-Allyl-3-methyl-piperidin-4-yl)-phenyl-amino]...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CC=C)CC1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3
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n/an/an/a 4.67E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Delta opioid receptor in using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 20 nM NTI

Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50082339
PNG
(4-[((S)-1-Allyl-3-methyl-piperidin-4-yl)-phenyl-am...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1CCN(CC=C)CC1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21?,25-/m0/s1
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n/an/an/a 4.67E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6000 nM CTAP

Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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n/an/an/a 4.89E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Delta opioid receptor in using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 20 nM NTI

Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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UniProtKB/SwissProt

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n/an/an/a 4.89E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6000 nM CTAP

Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50060076
PNG
(2-[(S)-3-(4-Hydroxy-2,6-dimethyl-phenyl)-2-methyla...)
Show SMILES CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1S/C22H27N3O3/c1-13-8-17(26)9-14(2)18(13)11-19(24-3)22(28)25-12-16-7-5-4-6-15(16)10-20(25)21(23)27/h4-9,19-20,24,26H,10-12H2,1-3H3,(H2,23,27)/t19-,20?/m0/s1
PDB

UniProtKB/SwissProt

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n/an/an/a 1.00E+4n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity against Opioid receptor mu 1 iin a guinea pig ileum assay

J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair