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PubMed code 2567782

Compile data set for download or QSAR
Found 50 hits of Enzyme Inhibition Constant Data   
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
Mu-type opioid receptor


(Homo sapiens (Human))
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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1.80n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50008854
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C21H28N2OS/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor kappa was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017495
PNG
(2-Benzo[b]thiophen-4-yl-N-[2-(3-hydroxymethyl-pyrr...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCC(CO)C1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C22H30N2O2S/c1-23(22(26)13-17-5-4-8-21-18(17)10-12-27-21)19-6-2-3-7-20(19)24-11-9-16(14-24)15-25/h4-5,8,10,12,16,19-20,25H,2-3,6-7,9,11,13-15H2,1H3/t16?,19-,20-/m1/s1
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7n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor kappa was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017500
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@@H]1CCCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C22H30N2OS/c1-23(19-9-3-2-4-10-20(19)24-13-5-6-14-24)22(25)16-17-8-7-11-21-18(17)12-15-26-21/h7-8,11-12,15,19-20H,2-6,9-10,13-14,16H2,1H3/t19-,20-/m1/s1
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12n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017488
PNG
(2-Benzofuran-4-yl-N-(4,5-dimethoxy-2-pyrrolidin-1-...)
Show SMILES CO[C@H]1C[C@@H]([C@H](C[C@H]1OC)N1CCCC1)N(C)C(=O)Cc1cccc2occc12
Show InChI InChI=1S/C23H32N2O4/c1-24(23(26)13-16-7-6-8-20-17(16)9-12-29-20)18-14-21(27-2)22(28-3)15-19(18)25-10-4-5-11-25/h6-9,12,18-19,21-22H,4-5,10-11,13-15H2,1-3H3/t18-,19-,21-,22+/m0/s1
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16n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017498
PNG
(2-Benzofuran-4-yl-N-[2-(3-hydroxymethyl-pyrrolidin...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCC(CO)C1)C(=O)Cc1cccc2occc12
Show InChI InChI=1S/C22H30N2O3/c1-23(22(26)13-17-5-4-8-21-18(17)10-12-27-21)19-6-2-3-7-20(19)24-11-9-16(14-24)15-25/h4-5,8,10,12,16,19-20,25H,2-3,6-7,9,11,13-15H2,1H3/t16?,19-,20-/m1/s1
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17n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017494
PNG
(2-Benzo[b]thiophen-7-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2ccsc12
Show InChI InChI=1S/C21H28N2OS/c1-22(18-9-2-3-10-19(18)23-12-4-5-13-23)20(24)15-17-8-6-7-16-11-14-25-21(16)17/h6-8,11,14,18-19H,2-5,9-10,12-13,15H2,1H3/t18-,19-/m1/s1
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17n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor kappa was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50013147
PNG
(2-Benzo[b]thiophen-4-yl-N-(4,5-dimethoxy-2-pyrroli...)
Show SMILES CO[C@H]1CC([C@H](C[C@H]1OC)N1CCCC1)N(C)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C23H32N2O3S/c1-24(23(26)13-16-7-6-8-22-17(16)9-12-29-22)18-14-20(27-2)21(28-3)15-19(18)25-10-4-5-11-25/h6-9,12,18-21H,4-5,10-11,13-15H2,1-3H3/t18?,19-,20-,21+/m0/s1
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18n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor kappa was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017504
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=S)Cc1cccc2sccc12
Show InChI InChI=1S/C21H28N2S2/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m1/s1
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53n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017499
PNG
(2-Benzo[b]thiophen-3-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1csc2ccccc12
Show InChI InChI=1S/C21H28N2OS/c1-22(18-9-3-4-10-19(18)23-12-6-7-13-23)21(24)14-16-15-25-20-11-5-2-8-17(16)20/h2,5,8,11,15,18-19H,3-4,6-7,9-10,12-14H2,1H3/t18-,19-/m1/s1
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69n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
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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86n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017489
PNG
(2-Benzo[b]thiophen-5-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc2sccc2c1
Show InChI InChI=1S/C21H28N2OS/c1-22(18-6-2-3-7-19(18)23-11-4-5-12-23)21(24)15-16-8-9-20-17(14-16)10-13-25-20/h8-10,13-14,18-19H,2-7,11-12,15H2,1H3/t18-,19-/m1/s1
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94n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor kappa was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50452622
PNG
(CHEMBL2093981)
Show SMILES Cl.CN([C@@H]1CCCC[C@H]1N1CCC[C@H]1CO)C(=O)Cc1cccc2sccc12 |r|
Show InChI InChI=1S/C22H30N2O2S.ClH/c1-23(22(26)14-16-6-4-10-21-18(16)11-13-27-21)19-8-2-3-9-20(19)24-12-5-7-17(24)15-25;/h4,6,10-11,13,17,19-20,25H,2-3,5,7-9,12,14-15H2,1H3;1H/t17-,19+,20+;/m0./s1
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>100n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017501
PNG
(2-Benzo[b]thiophen-6-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc2ccsc2c1
Show InChI InChI=1S/C21H28N2OS/c1-22(18-6-2-3-7-19(18)23-11-4-5-12-23)21(24)15-16-8-9-17-10-13-25-20(17)14-16/h8-10,13-14,18-19H,2-7,11-12,15H2,1H3/t18-,19-/m1/s1
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146n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor kappa was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017497
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@@H]1CCC[C@H]1N1CCCC1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C20H26N2OS/c1-21(17-7-5-8-18(17)22-11-2-3-12-22)20(23)14-15-6-4-9-19-16(15)10-13-24-19/h4,6,9-10,13,17-18H,2-3,5,7-8,11-12,14H2,1H3/t17-,18-/m1/s1
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154n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor kappa was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017507
PNG
(CHEMBL553665 | Pentanedioic acid bis-(1-{2-[(2-ben...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCC(COC(=O)CCCC(=O)OCC2CCN(C2)[C@@H]2CCCC[C@H]2N(C)C(=O)Cc2cccc3occc23)C1)C(=O)Cc1cccc2occc12
Show InChI InChI=1S/C49H64N4O8/c1-50(46(54)28-36-10-7-16-44-38(36)22-26-58-44)40-12-3-5-14-42(40)52-24-20-34(30-52)32-60-48(56)18-9-19-49(57)61-33-35-21-25-53(31-35)43-15-6-4-13-41(43)51(2)47(55)29-37-11-8-17-45-39(37)23-27-59-45/h7-8,10-11,16-17,22-23,26-27,34-35,40-43H,3-6,9,12-15,18-21,24-25,28-33H2,1-2H3/t34?,35?,40-,41+,42-,43+
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180n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor kappa was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017510
PNG
(CHEMBL540277 | Succinic acid bis-(1-{2-[(2-benzofu...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCC(COC(=O)CCC(=O)OCC2CCN(C2)[C@@H]2CCCC[C@H]2N(C)C(=O)Cc2cccc3occc23)C1)C(=O)Cc1cccc2occc12
Show InChI InChI=1S/C48H62N4O8/c1-49(45(53)27-35-9-7-15-43-37(35)21-25-57-43)39-11-3-5-13-41(39)51-23-19-33(29-51)31-59-47(55)17-18-48(56)60-32-34-20-24-52(30-34)42-14-6-4-12-40(42)50(2)46(54)28-36-10-8-16-44-38(36)22-26-58-44/h7-10,15-16,21-22,25-26,33-34,39-42H,3-6,11-14,17-20,23-24,27-32H2,1-2H3/t33?,34?,39-,40+,41-,42+
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180n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor kappa was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017492
PNG
(Benzo[b]thiophen-4-yl-acetic acid 2-pyrrolidin-1-y...)
Show SMILES O=C(Cc1cccc2sccc12)O[C@@H]1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C20H25NO2S/c22-20(14-15-6-5-9-19-16(15)10-13-24-19)23-18-8-2-1-7-17(18)21-11-3-4-12-21/h5-6,9-10,13,17-18H,1-4,7-8,11-12,14H2/t17-,18-/m1/s1
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261n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor kappa was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017505
PNG
(2-Benzo[b]thiophen-4-yl-N-(2-pyrrolidin-1-yl-cyclo...)
Show SMILES O=C(Cc1cccc2sccc12)N[C@@H]1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C20H26N2OS/c23-20(14-15-6-5-9-19-16(15)10-13-24-19)21-17-7-1-2-8-18(17)22-11-3-4-12-22/h5-6,9-10,13,17-18H,1-4,7-8,11-12,14H2,(H,21,23)/t17-,18-/m1/s1
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333n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50008854
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C21H28N2OS/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m0/s1
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410n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017501
PNG
(2-Benzo[b]thiophen-6-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc2ccsc2c1
Show InChI InChI=1S/C21H28N2OS/c1-22(18-6-2-3-7-19(18)23-11-4-5-12-23)21(24)15-16-8-9-17-10-13-25-20(17)14-16/h8-10,13-14,18-19H,2-7,11-12,15H2,1H3/t18-,19-/m1/s1
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425n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017489
PNG
(2-Benzo[b]thiophen-5-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc2sccc2c1
Show InChI InChI=1S/C21H28N2OS/c1-22(18-6-2-3-7-19(18)23-11-4-5-12-23)21(24)15-16-8-9-20-17(14-16)10-13-25-20/h8-10,13-14,18-19H,2-7,11-12,15H2,1H3/t18-,19-/m1/s1
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475n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017495
PNG
(2-Benzo[b]thiophen-4-yl-N-[2-(3-hydroxymethyl-pyrr...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCC(CO)C1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C22H30N2O2S/c1-23(22(26)13-17-5-4-8-21-18(17)10-12-27-21)19-6-2-3-7-20(19)24-11-9-16(14-24)15-25/h4-5,8,10,12,16,19-20,25H,2-3,6-7,9,11,13-15H2,1H3/t16?,19-,20-/m1/s1
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560n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017494
PNG
(2-Benzo[b]thiophen-7-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2ccsc12
Show InChI InChI=1S/C21H28N2OS/c1-22(18-9-2-3-10-19(18)23-12-4-5-13-23)20(24)15-17-8-6-7-16-11-14-25-21(16)17/h6-8,11,14,18-19H,2-5,9-10,12-13,15H2,1H3/t18-,19-/m1/s1
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650n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017504
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=S)Cc1cccc2sccc12
Show InChI InChI=1S/C21H28N2S2/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m1/s1
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700n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017507
PNG
(CHEMBL553665 | Pentanedioic acid bis-(1-{2-[(2-ben...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCC(COC(=O)CCCC(=O)OCC2CCN(C2)[C@@H]2CCCC[C@H]2N(C)C(=O)Cc2cccc3occc23)C1)C(=O)Cc1cccc2occc12
Show InChI InChI=1S/C49H64N4O8/c1-50(46(54)28-36-10-7-16-44-38(36)22-26-58-44)40-12-3-5-14-42(40)52-24-20-34(30-52)32-60-48(56)18-9-19-49(57)61-33-35-21-25-53(31-35)43-15-6-4-13-41(43)51(2)47(55)29-37-11-8-17-45-39(37)23-27-59-45/h7-8,10-11,16-17,22-23,26-27,34-35,40-43H,3-6,9,12-15,18-21,24-25,28-33H2,1-2H3/t34?,35?,40-,41+,42-,43+
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760n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017510
PNG
(CHEMBL540277 | Succinic acid bis-(1-{2-[(2-benzofu...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCC(COC(=O)CCC(=O)OCC2CCN(C2)[C@@H]2CCCC[C@H]2N(C)C(=O)Cc2cccc3occc23)C1)C(=O)Cc1cccc2occc12
Show InChI InChI=1S/C48H62N4O8/c1-49(45(53)27-35-9-7-15-43-37(35)21-25-57-43)39-11-3-5-13-41(39)51-23-19-33(29-51)31-59-47(55)17-18-48(56)60-32-34-20-24-52(30-34)42-14-6-4-12-40(42)50(2)46(54)28-36-10-8-16-44-38(36)22-26-58-44/h7-10,15-16,21-22,25-26,33-34,39-42H,3-6,11-14,17-20,23-24,27-32H2,1-2H3/t33?,34?,39-,40+,41-,42+
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800n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017503
PNG
(2-(1H-Indol-4-yl)-N-methyl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2[nH]ccc12
Show InChI InChI=1S/C21H29N3O/c1-23(19-9-2-3-10-20(19)24-13-4-5-14-24)21(25)15-16-7-6-8-18-17(16)11-12-22-18/h6-8,11-12,19-20,22H,2-5,9-10,13-15H2,1H3/t19-,20-/m1/s1
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816n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor kappa was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017488
PNG
(2-Benzofuran-4-yl-N-(4,5-dimethoxy-2-pyrrolidin-1-...)
Show SMILES CO[C@H]1C[C@@H]([C@H](C[C@H]1OC)N1CCCC1)N(C)C(=O)Cc1cccc2occc12
Show InChI InChI=1S/C23H32N2O4/c1-24(23(26)13-16-7-6-8-20-17(16)9-12-29-20)18-14-21(27-2)22(28-3)15-19(18)25-10-4-5-11-25/h6-9,12,18-19,21-22H,4-5,10-11,13-15H2,1-3H3/t18-,19-,21-,22+/m0/s1
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820n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017503
PNG
(2-(1H-Indol-4-yl)-N-methyl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2[nH]ccc12
Show InChI InChI=1S/C21H29N3O/c1-23(19-9-2-3-10-20(19)24-13-4-5-14-24)21(25)15-16-7-6-8-18-17(16)11-12-22-18/h6-8,11-12,19-20,22H,2-5,9-10,13-15H2,1H3/t19-,20-/m1/s1
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833n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017500
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@@H]1CCCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C22H30N2OS/c1-23(19-9-3-2-4-10-20(19)24-13-5-6-14-24)22(25)16-17-8-7-11-21-18(17)12-15-26-21/h7-8,11-12,15,19-20H,2-6,9-10,13-14,16H2,1H3/t19-,20-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50452622
PNG
(CHEMBL2093981)
Show SMILES Cl.CN([C@@H]1CCCC[C@H]1N1CCC[C@H]1CO)C(=O)Cc1cccc2sccc12 |r|
Show InChI InChI=1S/C22H30N2O2S.ClH/c1-23(22(26)14-16-6-4-10-21-18(16)11-13-27-21)19-8-2-3-9-20(19)24-12-5-7-17(24)15-25;/h4,6,10-11,13,17,19-20,25H,2-3,5,7-9,12,14-15H2,1H3;1H/t17-,19+,20+;/m0./s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor kappa was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017499
PNG
(2-Benzo[b]thiophen-3-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1csc2ccccc12
Show InChI InChI=1S/C21H28N2OS/c1-22(18-9-3-4-10-19(18)23-12-6-7-13-23)21(24)14-16-15-25-20-11-5-2-8-17(16)20/h2,5,8,11,15,18-19H,3-4,6-7,9-10,12-14H2,1H3/t18-,19-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017493
PNG
(2-Benzo[b]thiophen-4-yl-N-pentyl-N-(2-pyrrolidin-1...)
Show SMILES CCCCCN(CCN1CCCC1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C21H30N2OS/c1-2-3-4-13-23(15-14-22-11-5-6-12-22)21(24)17-18-8-7-9-20-19(18)10-16-25-20/h7-10,16H,2-6,11-15,17H2,1H3
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2.00E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor kappa was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50013147
PNG
(2-Benzo[b]thiophen-4-yl-N-(4,5-dimethoxy-2-pyrroli...)
Show SMILES CO[C@H]1CC([C@H](C[C@H]1OC)N1CCCC1)N(C)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C23H32N2O3S/c1-24(23(26)13-16-7-6-8-22-17(16)9-12-29-22)18-14-20(27-2)21(28-3)15-19(18)25-10-4-5-11-25/h6-9,12,18-21H,4-5,10-11,13-15H2,1-3H3/t18?,19-,20-,21+/m0/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017492
PNG
(Benzo[b]thiophen-4-yl-acetic acid 2-pyrrolidin-1-y...)
Show SMILES O=C(Cc1cccc2sccc12)O[C@@H]1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C20H25NO2S/c22-20(14-15-6-5-9-19-16(15)10-13-24-19)23-18-8-2-1-7-17(18)21-11-3-4-12-21/h5-6,9-10,13,17-18H,1-4,7-8,11-12,14H2/t17-,18-/m1/s1
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3.34E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017497
PNG
(2-Benzo[b]thiophen-4-yl-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@@H]1CCC[C@H]1N1CCCC1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C20H26N2OS/c1-21(17-7-5-8-18(17)22-11-2-3-12-22)20(23)14-15-6-4-9-19-16(15)10-13-24-19/h4,6,9-10,13,17-18H,2-3,5,7-8,11-12,14H2,1H3/t17-,18-/m1/s1
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3.60E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017498
PNG
(2-Benzofuran-4-yl-N-[2-(3-hydroxymethyl-pyrrolidin...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCC(CO)C1)C(=O)Cc1cccc2occc12
Show InChI InChI=1S/C22H30N2O3/c1-23(22(26)13-17-5-4-8-21-18(17)10-12-27-21)19-6-2-3-7-20(19)24-11-9-16(14-24)15-25/h4-5,8,10,12,16,19-20,25H,2-3,6-7,9,11,13-15H2,1H3/t16?,19-,20-/m1/s1
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4.10E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017505
PNG
(2-Benzo[b]thiophen-4-yl-N-(2-pyrrolidin-1-yl-cyclo...)
Show SMILES O=C(Cc1cccc2sccc12)N[C@@H]1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C20H26N2OS/c23-20(14-15-6-5-9-19-16(15)10-13-24-19)21-17-7-1-2-8-18(17)22-11-3-4-12-22/h5-6,9-10,13,17-18H,1-4,7-8,11-12,14H2,(H,21,23)/t17-,18-/m1/s1
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4.80E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017493
PNG
(2-Benzo[b]thiophen-4-yl-N-pentyl-N-(2-pyrrolidin-1...)
Show SMILES CCCCCN(CCN1CCCC1)C(=O)Cc1cccc2sccc12
Show InChI InChI=1S/C21H30N2OS/c1-2-3-4-13-23(15-14-22-11-5-6-12-22)21(24)17-18-8-7-9-20-19(18)10-16-25-20/h7-10,16H,2-6,11-15,17H2,1H3
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5.20E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017490
PNG
((2-Benzo[b]thiophen-4-yl-ethyl)-methyl-(2-pyrrolid...)
Show SMILES CN(CCc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C21H30N2S/c1-22(15-11-17-7-6-10-21-18(17)12-16-24-21)19-8-2-3-9-20(19)23-13-4-5-14-23/h6-7,10,12,16,19-20H,2-5,8-9,11,13-15H2,1H3/t19-,20-/m1/s1
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8.10E+3n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor kappa was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017496
PNG
(2-Benzo[b]thiophen-4-yl-N-(2-pyrrolidin-1-yl-ethyl...)
Show SMILES O=C(Cc1cccc2sccc12)NCCN1CCCC1
Show InChI InChI=1S/C16H20N2OS/c19-16(17-7-10-18-8-1-2-9-18)12-13-4-3-5-15-14(13)6-11-20-15/h3-6,11H,1-2,7-10,12H2,(H,17,19)
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1.00E+4n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50452623
PNG
(CHEMBL2094047)
Show SMILES Cl.CN([C@@H]1CCCC[C@H]1N1CCC[C@@H]1CO)C(=O)Cc1cccc2sccc12 |r|
Show InChI InChI=1S/C22H30N2O2S.ClH/c1-23(22(26)14-16-6-4-10-21-18(16)11-13-27-21)19-8-2-3-9-20(19)24-12-5-7-17(24)15-25;/h4,6,10-11,13,17,19-20,25H,2-3,5,7-9,12,14-15H2,1H3;1H/t17-,19-,20-;/m1./s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50452623
PNG
(CHEMBL2094047)
Show SMILES Cl.CN([C@@H]1CCCC[C@H]1N1CCC[C@@H]1CO)C(=O)Cc1cccc2sccc12 |r|
Show InChI InChI=1S/C22H30N2O2S.ClH/c1-23(22(26)14-16-6-4-10-21-18(16)11-13-27-21)19-8-2-3-9-20(19)24-12-5-7-17(24)15-25;/h4,6,10-11,13,17,19-20,25H,2-3,5,7-9,12,14-15H2,1H3;1H/t17-,19-,20-;/m1./s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor kappa was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017490
PNG
((2-Benzo[b]thiophen-4-yl-ethyl)-methyl-(2-pyrrolid...)
Show SMILES CN(CCc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C21H30N2S/c1-22(15-11-17-7-6-10-21-18(17)12-16-24-21)19-8-2-3-9-20(19)23-13-4-5-14-23/h6-7,10,12,16,19-20H,2-5,8-9,11,13-15H2,1H3/t19-,20-/m1/s1
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1.43E+4n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017506
PNG
(2-Benzo[b]thiophen-4-yl-1-(decahydro-pyrrolo[1,2-a...)
Show SMILES O=C(Cc1cccc2sccc12)N1CC2CCCN2[C@@H]2CCCC[C@@H]12
Show InChI InChI=1S/C21H26N2OS/c24-21(13-15-5-3-9-20-17(15)10-12-25-20)23-14-16-6-4-11-22(16)18-7-1-2-8-19(18)23/h3,5,9-10,12,16,18-19H,1-2,4,6-8,11,13-14H2/t16?,18-,19-/m1/s1
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1.75E+4n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017509
PNG
(2-Pyrrolidin-1-yl-cyclohexanecarboxylic acid benzo...)
Show SMILES CN(Cc1cccc2occc12)C(=O)[C@@H]1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C21H28N2O2/c1-22(15-16-7-6-10-20-17(16)11-14-25-20)21(24)18-8-2-3-9-19(18)23-12-4-5-13-23/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m1/s1
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2.03E+4n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017496
PNG
(2-Benzo[b]thiophen-4-yl-N-(2-pyrrolidin-1-yl-ethyl...)
Show SMILES O=C(Cc1cccc2sccc12)NCCN1CCCC1
Show InChI InChI=1S/C16H20N2OS/c19-16(17-7-10-18-8-1-2-9-18)12-13-4-3-5-15-14(13)6-11-20-15/h3-6,11H,1-2,7-10,12H2,(H,17,19)
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2.50E+4n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor kappa was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017506
PNG
(2-Benzo[b]thiophen-4-yl-1-(decahydro-pyrrolo[1,2-a...)
Show SMILES O=C(Cc1cccc2sccc12)N1CC2CCCN2[C@@H]2CCCC[C@@H]12
Show InChI InChI=1S/C21H26N2OS/c24-21(13-15-5-3-9-20-17(15)10-12-25-20)23-14-16-6-4-11-22(16)18-7-1-2-8-19(18)23/h3,5,9-10,12,16,18-19H,1-2,4,6-8,11,13-14H2/t16?,18-,19-/m1/s1
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2.80E+4n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017509
PNG
(2-Pyrrolidin-1-yl-cyclohexanecarboxylic acid benzo...)
Show SMILES CN(Cc1cccc2occc12)C(=O)[C@@H]1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C21H28N2O2/c1-22(15-16-7-6-10-20-17(16)11-14-25-20)21(24)18-8-2-3-9-19(18)23-12-4-5-13-23/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m1/s1
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3.70E+4n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 was determined


J Med Chem 32: 1620-6 (1989)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%