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PubMed code 15055988

Compile data set for download or QSAR
Found 49 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50105483
PNG
((-)-cyclorphan | 17-cyclopropylmethyl-(1R,9R)-17-a...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:8:7:20.4.5:15.13.14|
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17?,19-,20-/m1/s1
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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143602
PNG
(20-cyclopropylmethyl-(1R,12R)-7-thia-5,20-diazapen...)
Show SMILES Nc1nc2cc3c(C[C@@H]4C5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:10:9:5.6.7:17.15.16|
Show InChI InChI=1S/C21H27N3S/c22-20-23-17-11-16-14(10-19(17)25-20)9-18-15-3-1-2-6-21(15,16)7-8-24(18)12-13-4-5-13/h10-11,13,15,18H,1-9,12H2,(H2,22,23)/t15?,18-,21-/m1/s1
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0.0490n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105483
PNG
((-)-cyclorphan | 17-cyclopropylmethyl-(1R,9R)-17-a...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:8:7:20.4.5:15.13.14|
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17?,19-,20-/m1/s1
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0.0620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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0.0790n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143607
PNG
((6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |THB:0:1:10.4.3:15.13.14|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17?,18+/m0/s1
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0.180n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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0.210n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50143607
PNG
((6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |THB:0:1:10.4.3:15.13.14|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17?,18+/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143609
PNG
(17-cyclobutylmethyl-4-hydroxy-(1R,9S)-17-azatetrac...)
Show SMILES Oc1ccc2C(=O)[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:9:8:5.22.4:16.14.15|
Show InChI InChI=1S/C21H27NO2/c23-15-7-8-16-18(12-15)21-9-2-1-6-17(21)19(20(16)24)22(11-10-21)13-14-4-3-5-14/h7-8,12,14,17,19,23H,1-6,9-11,13H2/t17?,19-,21+/m0/s1
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0.480n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143611
PNG
(13-cyclobutylmethyl-1,16-dimethyl-(1R,12R,16R)-7-t...)
Show SMILES C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CCC1 |TLB:19:18:1:13.4.3|
Show InChI InChI=1S/C20H27N3S/c1-12-17-8-14-9-18-16(22-19(21)24-18)10-15(14)20(12,2)6-7-23(17)11-13-4-3-5-13/h9-10,12-13,17H,3-8,11H2,1-2H3,(H2,21,22)/t12-,17+,20+/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143606
PNG
(20-cyclobutylmethyl-(1R,12R)-7-thia-5,20-diazapent...)
Show SMILES Nc1nc2cc3c(C[C@@H]4C5CCCC[C@]35CCN4CC3CCC3)cc2s1 |THB:10:9:5.6.7:17.15.16|
Show InChI InChI=1S/C22H29N3S/c23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-6-1-2-7-22(16,17)8-9-25(19)13-14-4-3-5-14/h11-12,14,16,19H,1-10,13H2,(H2,23,24)/t16?,19-,22-/m1/s1
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0.790n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
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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0.880n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50143607
PNG
((6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |THB:0:1:10.4.3:15.13.14|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17?,18+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50143608
PNG
(20-methyl-(1R,12R)-7-thia-5,20-diazapentacyclo[10....)
Show SMILES CN1CC[C@]23CCCCC2[C@H]1Cc1cc2sc(N)nc2cc31 |TLB:8:9:21.12.11:1.3.2|
Show InChI InChI=1S/C18H23N3S/c1-21-7-6-18-5-3-2-4-12(18)15(21)8-11-9-16-14(10-13(11)18)20-17(19)22-16/h9-10,12,15H,2-8H2,1H3,(H2,19,20)/t12?,15-,18-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50143608
PNG
(20-methyl-(1R,12R)-7-thia-5,20-diazapentacyclo[10....)
Show SMILES CN1CC[C@]23CCCCC2[C@H]1Cc1cc2sc(N)nc2cc31 |TLB:8:9:21.12.11:1.3.2|
Show InChI InChI=1S/C18H23N3S/c1-21-7-6-18-5-3-2-4-12(18)15(21)8-11-9-16-14(10-13(11)18)20-17(19)22-16/h9-10,12,15H,2-8H2,1H3,(H2,19,20)/t12?,15-,18-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50143602
PNG
(20-cyclopropylmethyl-(1R,12R)-7-thia-5,20-diazapen...)
Show SMILES Nc1nc2cc3c(C[C@@H]4C5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:10:9:5.6.7:17.15.16|
Show InChI InChI=1S/C21H27N3S/c22-20-23-17-11-16-14(10-19(17)25-20)9-18-15-3-1-2-6-21(15,16)7-8-24(18)12-13-4-5-13/h10-11,13,15,18H,1-9,12H2,(H2,22,23)/t15?,18-,21-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50105483
PNG
((-)-cyclorphan | 17-cyclopropylmethyl-(1R,9R)-17-a...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:8:7:20.4.5:15.13.14|
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17?,19-,20-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50143609
PNG
(17-cyclobutylmethyl-4-hydroxy-(1R,9S)-17-azatetrac...)
Show SMILES Oc1ccc2C(=O)[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:9:8:5.22.4:16.14.15|
Show InChI InChI=1S/C21H27NO2/c23-15-7-8-16-18(12-15)21-9-2-1-6-17(21)19(20(16)24)22(11-10-21)13-14-4-3-5-14/h7-8,12,14,17,19,23H,1-6,9-11,13H2/t17?,19-,21+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143604
PNG
(13-cyclopropylmethyl-1,16-dimethyl-(1R,12R,16R)-7-...)
Show SMILES C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CC1 |TLB:19:18:1:13.4.3|
Show InChI InChI=1S/C19H25N3S/c1-11-16-7-13-8-17-15(21-18(20)23-17)9-14(13)19(11,2)5-6-22(16)10-12-3-4-12/h8-9,11-12,16H,3-7,10H2,1-2H3,(H2,20,21)/t11-,16+,19+/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50143606
PNG
(20-cyclobutylmethyl-(1R,12R)-7-thia-5,20-diazapent...)
Show SMILES Nc1nc2cc3c(C[C@@H]4C5CCCC[C@]35CCN4CC3CCC3)cc2s1 |THB:10:9:5.6.7:17.15.16|
Show InChI InChI=1S/C22H29N3S/c23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-6-1-2-7-22(16,17)8-9-25(19)13-14-4-3-5-14/h11-12,14,16,19H,1-10,13H2,(H2,23,24)/t16?,19-,22-/m1/s1
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7.10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50143611
PNG
(13-cyclobutylmethyl-1,16-dimethyl-(1R,12R,16R)-7-t...)
Show SMILES C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CCC1 |TLB:19:18:1:13.4.3|
Show InChI InChI=1S/C20H27N3S/c1-12-17-8-14-9-18-16(22-19(21)24-18)10-15(14)20(12,2)6-7-23(17)11-13-4-3-5-13/h9-10,12-13,17H,3-8,11H2,1-2H3,(H2,21,22)/t12-,17+,20+/m0/s1
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8.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143610
PNG
(6-amino-20-cyclobutylmethyl-(1R,12S)-7-thia-5,20-d...)
Show SMILES Nc1nc2cc3c(cc2s1)C(=O)[C@@H]1C2CCCC[C@]32CCN1CC1CCC1 |THB:14:13:6.5.10:21.19.20|
Show InChI InChI=1S/C22H27N3OS/c23-21-24-17-11-16-14(10-18(17)27-21)20(26)19-15-6-1-2-7-22(15,16)8-9-25(19)12-13-4-3-5-13/h10-11,13,15,19H,1-9,12H2,(H2,23,24)/t15?,19-,22+/m0/s1
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13n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
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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24n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143608
PNG
(20-methyl-(1R,12R)-7-thia-5,20-diazapentacyclo[10....)
Show SMILES CN1CC[C@]23CCCCC2[C@H]1Cc1cc2sc(N)nc2cc31 |TLB:8:9:21.12.11:1.3.2|
Show InChI InChI=1S/C18H23N3S/c1-21-7-6-18-5-3-2-4-12(18)15(21)8-11-9-16-14(10-13(11)18)20-17(19)22-16/h9-10,12,15H,2-8H2,1H3,(H2,19,20)/t12?,15-,18-/m1/s1
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29n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50143602
PNG
(20-cyclopropylmethyl-(1R,12R)-7-thia-5,20-diazapen...)
Show SMILES Nc1nc2cc3c(C[C@@H]4C5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:10:9:5.6.7:17.15.16|
Show InChI InChI=1S/C21H27N3S/c22-20-23-17-11-16-14(10-19(17)25-20)9-18-15-3-1-2-6-21(15,16)7-8-24(18)12-13-4-5-13/h10-11,13,15,18H,1-9,12H2,(H2,22,23)/t15?,18-,21-/m1/s1
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29n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143608
PNG
(20-methyl-(1R,12R)-7-thia-5,20-diazapentacyclo[10....)
Show SMILES CN1CC[C@]23CCCCC2[C@H]1Cc1cc2sc(N)nc2cc31 |TLB:8:9:21.12.11:1.3.2|
Show InChI InChI=1S/C18H23N3S/c1-21-7-6-18-5-3-2-4-12(18)15(21)8-11-9-16-14(10-13(11)18)20-17(19)22-16/h9-10,12,15H,2-8H2,1H3,(H2,19,20)/t12?,15-,18-/m1/s1
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29n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50143603
PNG
(11-amino-4-methyl-(1S,5R,16R,17S)-15-oxa-10-thia-4...)
Show SMILES CN1CC[C@@]23C4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)cc1sc(N)nc51
Show InChI InChI=1S/C18H21N3O2S/c1-21-5-4-18-9-2-3-11(22)16(18)23-15-13(18)8(6-10(9)21)7-12-14(15)20-17(19)24-12/h7,9-11,16,22H,2-6H2,1H3,(H2,19,20)/t9?,10-,11+,16?,18+/m1/s1
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30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50143603
PNG
(11-amino-4-methyl-(1S,5R,16R,17S)-15-oxa-10-thia-4...)
Show SMILES CN1CC[C@@]23C4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)cc1sc(N)nc51
Show InChI InChI=1S/C18H21N3O2S/c1-21-5-4-18-9-2-3-11(22)16(18)23-15-13(18)8(6-10(9)21)7-12-14(15)20-17(19)24-12/h7,9-11,16,22H,2-6H2,1H3,(H2,19,20)/t9?,10-,11+,16?,18+/m1/s1
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32n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50143604
PNG
(13-cyclopropylmethyl-1,16-dimethyl-(1R,12R,16R)-7-...)
Show SMILES C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CC1 |TLB:19:18:1:13.4.3|
Show InChI InChI=1S/C19H25N3S/c1-11-16-7-13-8-17-15(21-18(20)23-17)9-14(13)19(11,2)5-6-22(16)10-12-3-4-12/h8-9,11-12,16H,3-7,10H2,1-2H3,(H2,20,21)/t11-,16+,19+/m0/s1
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48n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50143611
PNG
(13-cyclobutylmethyl-1,16-dimethyl-(1R,12R,16R)-7-t...)
Show SMILES C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CCC1 |TLB:19:18:1:13.4.3|
Show InChI InChI=1S/C20H27N3S/c1-12-17-8-14-9-18-16(22-19(21)24-18)10-15(14)20(12,2)6-7-23(17)11-13-4-3-5-13/h9-10,12-13,17H,3-8,11H2,1-2H3,(H2,21,22)/t12-,17+,20+/m0/s1
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93n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Delta-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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140n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50143610
PNG
(6-amino-20-cyclobutylmethyl-(1R,12S)-7-thia-5,20-d...)
Show SMILES Nc1nc2cc3c(cc2s1)C(=O)[C@@H]1C2CCCC[C@]32CCN1CC1CCC1 |THB:14:13:6.5.10:21.19.20|
Show InChI InChI=1S/C22H27N3OS/c23-21-24-17-11-16-14(10-18(17)27-21)20(26)19-15-6-1-2-7-22(15,16)8-9-25(19)12-13-4-3-5-13/h10-11,13,15,19H,1-9,12H2,(H2,23,24)/t15?,19-,22+/m0/s1
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200n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143603
PNG
(11-amino-4-methyl-(1S,5R,16R,17S)-15-oxa-10-thia-4...)
Show SMILES CN1CC[C@@]23C4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)cc1sc(N)nc51
Show InChI InChI=1S/C18H21N3O2S/c1-21-5-4-18-9-2-3-11(22)16(18)23-15-13(18)8(6-10(9)21)7-12-14(15)20-17(19)24-12/h7,9-11,16,22H,2-6H2,1H3,(H2,19,20)/t9?,10-,11+,16?,18+/m1/s1
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220n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50143606
PNG
(20-cyclobutylmethyl-(1R,12R)-7-thia-5,20-diazapent...)
Show SMILES Nc1nc2cc3c(C[C@@H]4C5CCCC[C@]35CCN4CC3CCC3)cc2s1 |THB:10:9:5.6.7:17.15.16|
Show InChI InChI=1S/C22H29N3S/c23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-6-1-2-7-22(16,17)8-9-25(19)13-14-4-3-5-14/h11-12,14,16,19H,1-10,13H2,(H2,23,24)/t16?,19-,22-/m1/s1
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230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50143609
PNG
(17-cyclobutylmethyl-4-hydroxy-(1R,9S)-17-azatetrac...)
Show SMILES Oc1ccc2C(=O)[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:9:8:5.22.4:16.14.15|
Show InChI InChI=1S/C21H27NO2/c23-15-7-8-16-18(12-15)21-9-2-1-6-17(21)19(20(16)24)22(11-10-21)13-14-4-3-5-14/h7-8,12,14,17,19,23H,1-6,9-11,13H2/t17?,19-,21+/m0/s1
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260n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50143604
PNG
(13-cyclopropylmethyl-1,16-dimethyl-(1R,12R,16R)-7-...)
Show SMILES C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CC1 |TLB:19:18:1:13.4.3|
Show InChI InChI=1S/C19H25N3S/c1-11-16-7-13-8-17-15(21-18(20)23-17)9-14(13)19(11,2)5-6-22(16)10-12-3-4-12/h8-9,11-12,16H,3-7,10H2,1-2H3,(H2,20,21)/t11-,16+,19+/m0/s1
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940n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50143608
PNG
(20-methyl-(1R,12R)-7-thia-5,20-diazapentacyclo[10....)
Show SMILES CN1CC[C@]23CCCCC2[C@H]1Cc1cc2sc(N)nc2cc31 |TLB:8:9:21.12.11:1.3.2|
Show InChI InChI=1S/C18H23N3S/c1-21-7-6-18-5-3-2-4-12(18)15(21)8-11-9-16-14(10-13(11)18)20-17(19)22-16/h9-10,12,15H,2-8H2,1H3,(H2,19,20)/t12?,15-,18-/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50143610
PNG
(6-amino-20-cyclobutylmethyl-(1R,12S)-7-thia-5,20-d...)
Show SMILES Nc1nc2cc3c(cc2s1)C(=O)[C@@H]1C2CCCC[C@]32CCN1CC1CCC1 |THB:14:13:6.5.10:21.19.20|
Show InChI InChI=1S/C22H27N3OS/c23-21-24-17-11-16-14(10-18(17)27-21)20(26)19-15-6-1-2-7-22(15,16)8-9-25(19)12-13-4-3-5-13/h10-11,13,15,19H,1-9,12H2,(H2,23,24)/t15?,19-,22+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143602
PNG
(20-cyclopropylmethyl-(1R,12R)-7-thia-5,20-diazapen...)
Show SMILES Nc1nc2cc3c(C[C@@H]4C5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:10:9:5.6.7:17.15.16|
Show InChI InChI=1S/C21H27N3S/c22-20-23-17-11-16-14(10-19(17)25-20)9-18-15-3-1-2-6-21(15,16)7-8-24(18)12-13-4-5-13/h10-11,13,15,18H,1-9,12H2,(H2,22,23)/t15?,18-,21-/m1/s1
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n/an/an/an/a 2.40n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143606
PNG
(20-cyclobutylmethyl-(1R,12R)-7-thia-5,20-diazapent...)
Show SMILES Nc1nc2cc3c(C[C@@H]4C5CCCC[C@]35CCN4CC3CCC3)cc2s1 |THB:10:9:5.6.7:17.15.16|
Show InChI InChI=1S/C22H29N3S/c23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-6-1-2-7-22(16,17)8-9-25(19)13-14-4-3-5-14/h11-12,14,16,19H,1-10,13H2,(H2,23,24)/t16?,19-,22-/m1/s1
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n/an/an/an/a 29n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50143606
PNG
(20-cyclobutylmethyl-(1R,12R)-7-thia-5,20-diazapent...)
Show SMILES Nc1nc2cc3c(C[C@@H]4C5CCCC[C@]35CCN4CC3CCC3)cc2s1 |THB:10:9:5.6.7:17.15.16|
Show InChI InChI=1S/C22H29N3S/c23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-6-1-2-7-22(16,17)8-9-25(19)13-14-4-3-5-14/h11-12,14,16,19H,1-10,13H2,(H2,23,24)/t16?,19-,22-/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against Opioid receptor mu 1 in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50105483
PNG
((-)-cyclorphan | 17-cyclopropylmethyl-(1R,9R)-17-a...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:8:7:20.4.5:15.13.14|
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17?,19-,20-/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50143602
PNG
(20-cyclopropylmethyl-(1R,12R)-7-thia-5,20-diazapen...)
Show SMILES Nc1nc2cc3c(C[C@@H]4C5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:10:9:5.6.7:17.15.16|
Show InChI InChI=1S/C21H27N3S/c22-20-23-17-11-16-14(10-19(17)25-20)9-18-15-3-1-2-6-21(15,16)7-8-24(18)12-13-4-5-13/h10-11,13,15,18H,1-9,12H2,(H2,22,23)/t15?,18-,21-/m1/s1
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n/an/an/an/a 73n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against Opioid receptor mu 1 in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105483
PNG
((-)-cyclorphan | 17-cyclopropylmethyl-(1R,9R)-17-a...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:8:7:20.4.5:15.13.14|
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17?,19-,20-/m1/s1
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n/an/an/an/a 0.800n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against Opioid receptor mu 1 in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against Opioid receptor mu 1 in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%