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Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'petrone' and Initial = 'g'   
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))
BDBM50001107
PNG
(2-(3,4-Dichloro-phenyl)-1-(5-hydroxy-1-pyrrolidin-...)
Show SMILES Oc1cccc2C(CN3CCCC3)N(CCc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H24Cl2N2O2/c23-18-7-6-15(12-19(18)24)13-22(28)26-11-8-17-16(4-3-5-21(17)27)20(26)14-25-9-1-2-10-25/h3-7,12,20,27H,1-2,8-11,13-14H2
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0.0900n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor kappa


J Med Chem 35: 2970-8 (1992)


BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001108
PNG
(2-(3,4-Dichloro-phenyl)-1-(1-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3ccccc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C22H24Cl2N2O/c23-19-8-7-16(13-20(19)24)14-22(27)26-12-9-17-5-1-2-6-18(17)21(26)15-25-10-3-4-11-25/h1-2,5-8,13,21H,3-4,9-12,14-15H2
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0.200n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor kappa


J Med Chem 35: 2970-8 (1992)


BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001108
PNG
(2-(3,4-Dichloro-phenyl)-1-(1-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3ccccc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C22H24Cl2N2O/c23-19-8-7-16(13-20(19)24)14-22(27)26-12-9-17-5-1-2-6-18(17)21(26)15-25-10-3-4-11-25/h1-2,5-8,13,21H,3-4,9-12,14-15H2
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0.200n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007159
PNG
(2-(3,4-Dichloro-phenyl)-1-(4-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3sccc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C20H22Cl2N2OS/c21-16-4-3-14(11-17(16)22)12-20(25)24-9-5-19-15(6-10-26-19)18(24)13-23-7-1-2-8-23/h3-4,6,10-11,18H,1-2,5,7-9,12-13H2
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0.220n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50453089
PNG
(CHEMBL2114225)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2CN2CCCC2)cc1 |r|
Show InChI InChI=1S/C23H25F3N2O/c24-23(25,26)19-9-7-17(8-10-19)15-22(29)28-14-11-18-5-1-2-6-20(18)21(28)16-27-12-3-4-13-27/h1-2,5-10,21H,3-4,11-16H2/t21-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL




J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007158
PNG
((S)-2-(3,4-Dichloro-phenyl)-1-(2-pyrrolidin-1-ylme...)
Show SMILES Clc1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2/t15-/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001104
PNG
(2-(3,4-Dichloro-phenyl)-1-(3-methyl-1-pyrrolidin-1...)
Show SMILES C[C@@H]1Cc2ccccc2C(CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-16-12-18-6-2-3-7-19(18)22(15-26-10-4-5-11-26)27(16)23(28)14-17-8-9-20(24)21(25)13-17/h2-3,6-9,13,16,22H,4-5,10-12,14-15H2,1H3/t16-,22?/m1/s1
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0.430n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor kappa


J Med Chem 35: 2970-8 (1992)


BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007166
PNG
(2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3ccsc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C20H22Cl2N2OS/c21-16-4-3-14(11-17(16)22)12-19(25)24-9-5-15-6-10-26-20(15)18(24)13-23-7-1-2-8-23/h3-4,6,10-11,18H,1-2,5,7-9,12-13H2
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0.460n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007165
PNG
(2-(3,4-Dichloro-phenyl)-1-(4-piperidin-1-ylmethyl-...)
Show SMILES Clc1ccc(CC(=O)N2CCc3sccc3C2CN2CCCCC2)cc1Cl
Show InChI InChI=1S/C21H24Cl2N2OS/c22-17-5-4-15(12-18(17)23)13-21(26)25-10-6-20-16(7-11-27-20)19(25)14-24-8-2-1-3-9-24/h4-5,7,11-12,19H,1-3,6,8-10,13-14H2
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0.470n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50001107
PNG
(2-(3,4-Dichloro-phenyl)-1-(5-hydroxy-1-pyrrolidin-...)
Show SMILES Oc1cccc2C(CN3CCCC3)N(CCc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H24Cl2N2O2/c23-18-7-6-15(12-19(18)24)13-22(28)26-11-8-17-16(4-3-5-21(17)27)20(26)14-25-9-1-2-10-25/h3-7,12,20,27H,1-2,8-11,13-14H2
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0.490n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor mu


J Med Chem 35: 2970-8 (1992)


BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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0.5n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 using [3H][D-Ala2, D-Leu5]-enkephalin as radioligand


J Med Chem 40: 3192-8 (1997)


Article DOI: 10.1021/jm9608218
BindingDB Entry DOI: 10.7270/Q29C6Z3D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50453088
PNG
(CHEMBL2114226)
Show SMILES CCO.OC(C(O)C(O)=O)C(O)=O.CN(C)CC1N(CCc2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2O.C4H6O6.C2H6O/c1-23(2)13-19-16-6-4-3-5-15(16)9-10-24(19)20(25)12-14-7-8-17(21)18(22)11-14;5-1(3(7)8)2(6)4(9)10;1-2-3/h3-8,11,19H,9-10,12-13H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10);3H,2H2,1H3
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0.510n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007167
PNG
(1-(4-Piperidin-1-ylmethyl-6,7-dihydro-4H-thieno[3,...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3sccc3C2CN2CCCCC2)cc1
Show InChI InChI=1S/C22H25F3N2OS/c23-22(24,25)17-6-4-16(5-7-17)14-21(28)27-12-8-20-18(9-13-29-20)19(27)15-26-10-2-1-3-11-26/h4-7,9,13,19H,1-3,8,10-12,14-15H2
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0.600n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001105
PNG
(2-(3,4-Dichloro-phenyl)-1-(4-methyl-1-pyrrolidin-1...)
Show SMILES C[C@@H]1CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-16-14-27(23(28)13-17-8-9-20(24)21(25)12-17)22(15-26-10-4-5-11-26)19-7-3-2-6-18(16)19/h2-3,6-9,12,16,22H,4-5,10-11,13-15H2,1H3/t16-,22?/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor kappa


J Med Chem 35: 2970-8 (1992)


BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007157
PNG
((-)-1-(1-Piperidin-1-ylmethyl-3,4-dihydro-1H-isoqu...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3C2CN2CCCCC2)cc1
Show InChI InChI=1S/C24H27F3N2O/c25-24(26,27)20-10-8-18(9-11-20)16-23(30)29-15-12-19-6-2-3-7-21(19)22(29)17-28-13-4-1-5-14-28/h2-3,6-11,22H,1,4-5,12-17H2
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0.620n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50007164
PNG
((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2/t17-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007164
PNG
((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2/t17-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50218796
PNG
(CHEMBL557978 | OXYMORPHINDOLE CHLORIDE | oxymorphi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 using [3H][D-Ala2, D-Leu5]-enkephalin as radioligand


J Med Chem 40: 3192-8 (1997)


Article DOI: 10.1021/jm9608218
BindingDB Entry DOI: 10.7270/Q29C6Z3D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50037595
PNG
(1-((S)-2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...)
Show SMILES O=C(Cc1ccc2CCCCc2c1)N1CCCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C22H32N2O/c25-22(16-18-10-11-19-7-1-2-8-20(19)15-18)24-14-4-3-9-21(24)17-23-12-5-6-13-23/h10-11,15,21H,1-9,12-14,16-17H2/t21-/m0/s1
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0.810n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM83436
PNG
(2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-7-(1...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3/t19-,20-,22-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50061064
PNG
((4aR,8aS)-6-Cyclopropylmethyl-8a-(3-hydroxy-phenyl...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC4CC4)C[C@@H]3Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C27H37N3O2/c1-4-30(5-2)26(32)25-18(3)23-14-21-17-29(16-19-9-10-19)12-11-27(21,15-24(23)28-25)20-7-6-8-22(31)13-20/h6-8,13,19,21,28,31H,4-5,9-12,14-17H2,1-3H3/t21-,27+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 using [3H][D-Ala2, D-Leu5]-enkephalin as radioligand


J Med Chem 40: 3192-8 (1997)


Article DOI: 10.1021/jm9608218
BindingDB Entry DOI: 10.7270/Q29C6Z3D
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
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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1.70n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 using [3H][D-Ala2, D-Leu5]-enkephalin as radioligand


J Med Chem 40: 3192-8 (1997)


Article DOI: 10.1021/jm9608218
BindingDB Entry DOI: 10.7270/Q29C6Z3D
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50061061
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C25H35N3O2/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-22-21(14-19(25)16-27)17(4)23(26-22)24(30)28(6-2)7-3/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1
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1.90n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 using [3H][D-Ala2, D-Leu5]-enkephalin as radioligand


J Med Chem 40: 3192-8 (1997)


Article DOI: 10.1021/jm9608218
BindingDB Entry DOI: 10.7270/Q29C6Z3D
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50061063
PNG
((4aR,8aS)-8a-(3-Hydroxy-phenyl)-3,6-dimethyl-4,4a,...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(C)C[C@@H]3Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C24H33N3O2/c1-5-27(6-2)23(29)22-16(3)20-13-18-15-26(4)11-10-24(18,14-21(20)25-22)17-8-7-9-19(28)12-17/h7-9,12,18,25,28H,5-6,10-11,13-15H2,1-4H3/t18-,24+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 using [3H][D-Ala2, D-Leu5]-enkephalin as radioligand


J Med Chem 40: 3192-8 (1997)


Article DOI: 10.1021/jm9608218
BindingDB Entry DOI: 10.7270/Q29C6Z3D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor kappa


J Med Chem 35: 2970-8 (1992)


BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001106
PNG
(2-(3,4-Dichloro-phenyl)-1-(4,4-dimethyl-1-pyrrolid...)
Show SMILES CC1(C)CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H28Cl2N2O/c1-24(2)16-28(23(29)14-17-9-10-20(25)21(26)13-17)22(15-27-11-5-6-12-27)18-7-3-4-8-19(18)24/h3-4,7-10,13,22H,5-6,11-12,14-16H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor kappa


J Med Chem 35: 2970-8 (1992)


BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/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/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites


J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/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/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor mu


J Med Chem 35: 2970-8 (1992)


BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50037578
PNG
(6-(2-{(S)-2-[(Isopropyl-methyl-amino)-methyl]-pipe...)
Show SMILES CC(C)N(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1
Show InChI InChI=1S/C22H32N2O2/c1-16(2)23(3)15-19-8-4-5-12-24(19)22(26)14-17-10-11-20-18(13-17)7-6-9-21(20)25/h10-11,13,16,19H,4-9,12,14-15H2,1-3H3/t19-/m0/s1
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4.07n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50037586
PNG
(2-[2-Oxo-2-((S)-2-pyrrolidin-1-ylmethyl-piperidin-...)
Show SMILES O=C(Cc1ccc2c(CCCCC2=O)c1)N1CCCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C23H32N2O2/c26-22-9-2-1-7-19-15-18(10-11-21(19)22)16-23(27)25-14-4-3-8-20(25)17-24-12-5-6-13-24/h10-11,15,20H,1-9,12-14,16-17H2/t20-/m0/s1
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5.44n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50037582
PNG
(7-[2-Oxo-2-((S)-2-pyrrolidin-1-ylmethyl-piperidin-...)
Show SMILES O=C(Cc1ccc2CCCC(=O)c2c1)N1CCCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C22H30N2O2/c25-21-8-5-6-18-10-9-17(14-20(18)21)15-22(26)24-13-2-1-7-19(24)16-23-11-3-4-12-23/h9-10,14,19H,1-8,11-13,15-16H2/t19-/m0/s1
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5.61n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50037592
PNG
(6-(2-{(S)-2-[(Methyl-prop-2-ynyl-amino)-methyl]-pi...)
Show SMILES CN(CC#C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1
Show InChI InChI=1S/C22H28N2O2/c1-3-12-23(2)16-19-8-4-5-13-24(19)22(26)15-17-10-11-20-18(14-17)7-6-9-21(20)25/h1,10-11,14,19H,4-9,12-13,15-16H2,2H3/t19-/m0/s1
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6.24n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50037594
PNG
(2-[2-Oxo-2-((S)-2-pyrrolidin-1-ylmethyl-piperidin-...)
Show SMILES O=C(Cc1cc2c(CCCC2=O)s1)N1CCCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C20H28N2O2S/c23-18-7-5-8-19-17(18)12-16(25-19)13-20(24)22-11-2-1-6-15(22)14-21-9-3-4-10-21/h12,15H,1-11,13-14H2/t15-/m0/s1
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6.54n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50061062
PNG
(3-((4aS,11aR)-2-Ethyl-1,2,3,4,5,6,11,11a-octahydro...)
Show SMILES CCN1CC[C@@]2(Cc3[nH]c4ccccc4c3C[C@H]2C1)c1cccc(O)c1
Show InChI InChI=1S/C23H26N2O/c1-2-25-11-10-23(16-6-5-7-18(26)12-16)14-22-20(13-17(23)15-25)19-8-3-4-9-21(19)24-22/h3-9,12,17,24,26H,2,10-11,13-15H2,1H3/t17-,23+/m0/s1
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7.10n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 using [3H][D-Ala2, D-Leu5]-enkephalin as radioligand


J Med Chem 40: 3192-8 (1997)


Article DOI: 10.1021/jm9608218
BindingDB Entry DOI: 10.7270/Q29C6Z3D
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001107
PNG
(2-(3,4-Dichloro-phenyl)-1-(5-hydroxy-1-pyrrolidin-...)
Show SMILES Oc1cccc2C(CN3CCCC3)N(CCc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H24Cl2N2O2/c23-18-7-6-15(12-19(18)24)13-22(28)26-11-8-17-16(4-3-5-21(17)27)20(26)14-25-9-1-2-10-25/h3-7,12,20,27H,1-2,8-11,13-14H2
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7.10n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor delta


J Med Chem 35: 2970-8 (1992)


BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50037577
PNG
(6-[2-Oxo-2-((S)-2-pyrrolidin-1-ylmethyl-piperidin-...)
Show SMILES O=C(Cc1ccc2C(=O)CCCc2c1)N1CCCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C22H30N2O2/c25-21-8-5-6-18-14-17(9-10-20(18)21)15-22(26)24-13-2-1-7-19(24)16-23-11-3-4-12-23/h9-10,14,19H,1-8,11-13,15-16H2/t19-/m0/s1
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7.60n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50037590
PNG
(5-[2-Oxo-2-((S)-2-pyrrolidin-1-ylmethyl-piperidin-...)
Show SMILES O=C(Cc1ccc2C(=O)CCc2c1)N1CCCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C21H28N2O2/c24-20-9-7-17-13-16(6-8-19(17)20)14-21(25)23-12-2-1-5-18(23)15-22-10-3-4-11-22/h6,8,13,18H,1-5,7,9-12,14-15H2/t18-/m0/s1
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7.93n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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9.5n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 using [3H]-U-69,593 as radioligand


J Med Chem 40: 3192-8 (1997)


Article DOI: 10.1021/jm9608218
BindingDB Entry DOI: 10.7270/Q29C6Z3D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50037591
PNG
(6-(2-{(S)-2-[(Ethyl-methyl-amino)-methyl]-piperidi...)
Show SMILES CCN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1
Show InChI InChI=1S/C21H30N2O2/c1-3-22(2)15-18-8-4-5-12-23(18)21(25)14-16-10-11-19-17(13-16)7-6-9-20(19)24/h10-11,13,18H,3-9,12,14-15H2,1-2H3/t18-/m0/s1
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10.3n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50001104
PNG
(2-(3,4-Dichloro-phenyl)-1-(3-methyl-1-pyrrolidin-1...)
Show SMILES C[C@@H]1Cc2ccccc2C(CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-16-12-18-6-2-3-7-19(18)22(15-26-10-4-5-11-26)27(16)23(28)14-17-8-9-20(24)21(25)13-17/h2-3,6-9,13,16,22H,4-5,10-12,14-15H2,1H3/t16-,22?/m1/s1
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11n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor mu


J Med Chem 35: 2970-8 (1992)


BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50453089
PNG
(CHEMBL2114225)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2CN2CCCC2)cc1 |r|
Show InChI InChI=1S/C23H25F3N2O/c24-23(25,26)19-9-7-17(8-10-19)15-22(29)28-14-11-18-5-1-2-6-20(18)21(28)16-27-12-3-4-13-27/h1-2,5-10,21H,3-4,11-16H2/t21-/m1/s1
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11n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites


J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50061064
PNG
((4aR,8aS)-6-Cyclopropylmethyl-8a-(3-hydroxy-phenyl...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC4CC4)C[C@@H]3Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C27H37N3O2/c1-4-30(5-2)26(32)25-18(3)23-14-21-17-29(16-19-9-10-19)12-11-27(21,15-24(23)28-25)20-7-6-8-22(31)13-20/h6-8,13,19,21,28,31H,4-5,9-12,14-17H2,1-3H3/t21-,27+/m0/s1
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14n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 using [3H][D-Ala2, MePhe4, Gly-ol5]-enkephalin as radioligand


J Med Chem 40: 3192-8 (1997)


Article DOI: 10.1021/jm9608218
BindingDB Entry DOI: 10.7270/Q29C6Z3D
More data for this
Ligand-Target Pair
Mu-type opioid receptor


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



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 using [3H][D-Ala2, MePhe4, Gly-ol5]-enkephalin as radioligand


J Med Chem 40: 3192-8 (1997)


Article DOI: 10.1021/jm9608218
BindingDB Entry DOI: 10.7270/Q29C6Z3D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50037589
PNG
(6-(2-{(S)-2-[(Allyl-methyl-amino)-methyl]-piperidi...)
Show SMILES CN(CC=C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1
Show InChI InChI=1S/C22H30N2O2/c1-3-12-23(2)16-19-8-4-5-13-24(19)22(26)15-17-10-11-20-18(14-17)7-6-9-21(20)25/h3,10-11,14,19H,1,4-9,12-13,15-16H2,2H3/t19-/m0/s1
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19.2n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50037583
PNG
(6-(2-{(S)-2-[(Cyclopentyl-methyl-amino)-methyl]-pi...)
Show SMILES CN(C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1)C1CCCC1
Show InChI InChI=1S/C24H34N2O2/c1-25(20-8-2-3-9-20)17-21-10-4-5-14-26(21)24(28)16-18-12-13-22-19(15-18)7-6-11-23(22)27/h12-13,15,20-21H,2-11,14,16-17H2,1H3/t21-/m0/s1
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20n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50037579
PNG
(6-(2-{(S)-2-[(Methyl-propyl-amino)-methyl]-piperid...)
Show SMILES CCCN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1
Show InChI InChI=1S/C22H32N2O2/c1-3-12-23(2)16-19-8-4-5-13-24(19)22(26)15-17-10-11-20-18(14-17)7-6-9-21(20)25/h10-11,14,19H,3-9,12-13,15-16H2,1-2H3/t19-/m0/s1
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22.2n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50001108
PNG
(2-(3,4-Dichloro-phenyl)-1-(1-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3ccccc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C22H24Cl2N2O/c23-19-8-7-16(13-20(19)24)14-22(27)26-12-9-17-5-1-2-6-18(17)21(26)15-25-10-3-4-11-25/h1-2,5-8,13,21H,3-4,9-12,14-15H2
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30n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor mu


J Med Chem 35: 2970-8 (1992)


BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50001108
PNG
(2-(3,4-Dichloro-phenyl)-1-(1-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3ccccc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C22H24Cl2N2O/c23-19-8-7-16(13-20(19)24)14-22(27)26-12-9-17-5-1-2-6-18(17)21(26)15-25-10-3-4-11-25/h1-2,5-8,13,21H,3-4,9-12,14-15H2
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30n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites


J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50037593
PNG
(6-(2-{(S)-2-[(Cyclopropylmethyl-methyl-amino)-meth...)
Show SMILES CN(CC1CC1)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1
Show InChI InChI=1S/C23H32N2O2/c1-24(15-17-8-9-17)16-20-6-2-3-12-25(20)23(27)14-18-10-11-21-19(13-18)5-4-7-22(21)26/h10-11,13,17,20H,2-9,12,14-16H2,1H3/t20-/m0/s1
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30.4n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
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