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PubMed code 20727752

Compile data set for download or QSAR
Found 141 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))
BDBM50130561
PNG
((R)-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dime...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C28H39N3O2/c1-19(2)26(30-27(33)25-14-21-8-5-6-9-22(21)16-29-25)18-31-13-12-28(4,20(3)17-31)23-10-7-11-24(32)15-23/h5-11,15,19-20,25-26,29,32H,12-14,16-18H2,1-4H3,(H,30,33)/t20-,25+,26+,28+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327257
PNG
(3-(1-(cyclopropylmethyl)piperidin-4-yloxy)-N-(3-(3...)
Show SMILES O=C(Nc1cccc(NC(=O)c2cccc(c2)N2CCOCC2)c1)c1cccc(OC2CCN(CC3CC3)CC2)c1
Show InChI InChI=1S/C33H38N4O4/c38-32(25-4-1-8-29(20-25)37-16-18-40-19-17-37)34-27-6-3-7-28(22-27)35-33(39)26-5-2-9-31(21-26)41-30-12-14-36(15-13-30)23-24-10-11-24/h1-9,20-22,24,30H,10-19,23H2,(H,34,38)(H,35,39)
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0.5n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325855
PNG
(CHEMBL1223951 | exo-3-((1R,3s,5S)-8-benzyl-8-azabi...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C21H24N2O2/c22-21(24)16-7-4-8-19(11-16)25-20-12-17-9-10-18(13-20)23(17)14-15-5-2-1-3-6-15/h1-8,11,17-18,20H,9-10,12-14H2,(H2,22,24)/t17-,18+,20-
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40n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327259
PNG
(3-(1-benzylpiperidin-4-yloxy)benzamide | CHEMBL125...)
Show SMILES NC(=O)c1cccc(OC2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C19H22N2O2/c20-19(22)16-7-4-8-18(13-16)23-17-9-11-21(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17H,9-12,14H2,(H2,20,22)
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75n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327258
PNG
(3-(1-(cyclopropylmethyl)piperidin-4-yloxy)benzamid...)
Show SMILES NC(=O)c1cccc(OC2CCN(CC3CC3)CC2)c1
Show InChI InChI=1S/C16H22N2O2/c17-16(19)13-2-1-3-15(10-13)20-14-6-8-18(9-7-14)11-12-4-5-12/h1-3,10,12,14H,4-9,11H2,(H2,17,19)
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146n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327248
PNG
(CHEMBL1257821 | endo-3-(8-(4-methylbenzyl)-8-azabi...)
Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cc1 |r,TLB:5:6:12.11.13:9.8|
Show InChI InChI=1S/C22H26N2O2/c1-15-5-7-16(8-6-15)14-24-18-9-10-19(24)13-21(12-18)26-20-4-2-3-17(11-20)22(23)25/h2-8,11,18-19,21H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,21-
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n/an/a 0.140n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327247
PNG
(CHEMBL1257820 | endo-3-(8-(3-phenylpropyl)-8-azabi...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C23H28N2O2/c24-23(26)18-9-4-10-21(14-18)27-22-15-19-11-12-20(16-22)25(19)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,14,19-20,22H,5,8,11-13,15-16H2,(H2,24,26)/t19-,20+,22-
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n/an/a 0.25n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327244
PNG
(3-Endo-(8-((5-methylthiophen-2-yl)methyl)-8-azabic...)
Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)s1 |r,TLB:5:6:12.11.13:9.8|
Show InChI InChI=1S/C20H24N2O2S/c1-13-5-8-19(25-13)12-22-15-6-7-16(22)11-18(10-15)24-17-4-2-3-14(9-17)20(21)23/h2-5,8-9,15-16,18H,6-7,10-12H2,1H3,(H2,21,23)/t15-,16+,18-
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n/an/a 0.260n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327246
PNG
(CHEMBL1257698 | endo-3-(8-phenethyl-8-azabicyclo[3...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C22H26N2O2/c23-22(25)17-7-4-8-20(13-17)26-21-14-18-9-10-19(15-21)24(18)12-11-16-5-2-1-3-6-16/h1-8,13,18-19,21H,9-12,14-15H2,(H2,23,25)/t18-,19+,21-
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n/an/a 0.380n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327243
PNG
(CHEMBL1257577 | endo-3-(8-(thiophen-2-ylmethyl)-8-...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccs2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C19H22N2O2S/c20-19(22)13-3-1-4-16(9-13)23-17-10-14-6-7-15(11-17)21(14)12-18-5-2-8-24-18/h1-5,8-9,14-15,17H,6-7,10-12H2,(H2,20,22)/t14-,15+,17-
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n/an/a 0.430n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50130561
PNG
((R)-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dime...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C28H39N3O2/c1-19(2)26(30-27(33)25-14-21-8-5-6-9-22(21)16-29-25)18-31-13-12-28(4,20(3)17-31)23-10-7-11-24(32)15-23/h5-11,15,19-20,25-26,29,32H,12-14,16-18H2,1-4H3,(H,30,33)/t20-,25+,26+,28+/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327249
PNG
(CHEMBL1257937 | endo-3-(8-(3-methylbenzyl)-8-azabi...)
Show SMILES Cc1cccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)c1 |r,TLB:6:7:13.12.14:10.9|
Show InChI InChI=1S/C22H26N2O2/c1-15-4-2-5-16(10-15)14-24-18-8-9-19(24)13-21(12-18)26-20-7-3-6-17(11-20)22(23)25/h2-7,10-11,18-19,21H,8-9,12-14H2,1H3,(H2,23,25)/t18-,19+,21-
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n/an/a 0.520n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325855
PNG
(CHEMBL1223951 | exo-3-((1R,3s,5S)-8-benzyl-8-azabi...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C21H24N2O2/c22-21(24)16-7-4-8-19(11-16)25-20-12-17-9-10-18(13-20)23(17)14-15-5-2-1-3-6-15/h1-8,11,17-18,20H,9-10,12-14H2,(H2,22,24)/t17-,18+,20-
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n/an/a 0.610n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327250
PNG
(CHEMBL1257938 | endo-3-(8-(2-methylbenzyl)-8-azabi...)
Show SMILES Cc1ccccc1CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O |r,TLB:7:8:14.13.15:11.10|
Show InChI InChI=1S/C22H26N2O2/c1-15-5-2-3-6-17(15)14-24-18-9-10-19(24)13-21(12-18)26-20-8-4-7-16(11-20)22(23)25/h2-8,11,18-19,21H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,21-
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n/an/a 0.620n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327256
PNG
(CHEMBL1258280 | endo-3-(8-(benzo[d][1,3]dioxol-5-y...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccc3OCOc3c2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C22H24N2O4/c23-22(25)15-2-1-3-18(9-15)28-19-10-16-5-6-17(11-19)24(16)12-14-4-7-20-21(8-14)27-13-26-20/h1-4,7-9,16-17,19H,5-6,10-13H2,(H2,23,25)/t16-,17+,19-
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n/an/a 0.620n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327264
PNG
(CHEMBL1258503 | endo-3-(8-(2-oxo-2-(phenylamino)et...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)Nc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C22H25N3O3/c23-22(27)15-5-4-8-19(11-15)28-20-12-17-9-10-18(13-20)25(17)14-21(26)24-16-6-2-1-3-7-16/h1-8,11,17-18,20H,9-10,12-14H2,(H2,23,27)(H,24,26)/t17-,18+,20-
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n/an/a 0.720n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327268
PNG
(CHEMBL1258725 | endo-3-(8-(1,2,3,4-tetrahydronapht...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCc3ccccc23)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C24H28N2O2/c25-24(27)17-7-3-8-20(13-17)28-21-14-18-11-12-19(15-21)26(18)23-10-4-6-16-5-1-2-9-22(16)23/h1-3,5,7-9,13,18-19,21,23H,4,6,10-12,14-15H2,(H2,25,27)/t18-,19+,21-,23?
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n/an/a 0.950n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327251
PNG
(CHEMBL1258047 | endo-3-(8-(pyridin-4-ylmethyl)-8-a...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccncc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)15-2-1-3-18(10-15)25-19-11-16-4-5-17(12-19)23(16)13-14-6-8-22-9-7-14/h1-3,6-10,16-17,19H,4-5,11-13H2,(H2,21,24)/t16-,17+,19-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327266
PNG
(CHEMBL1258616 | endo-3-(8-(1-(5-methylthiophen-2-y...)
Show SMILES CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(C)s1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C21H26N2O2S/c1-13-6-9-20(26-13)14(2)23-16-7-8-17(23)12-19(11-16)25-18-5-3-4-15(10-18)21(22)24/h3-6,9-10,14,16-17,19H,7-8,11-12H2,1-2H3,(H2,22,24)/t14?,16-,17+,19-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327274
PNG
(CHEMBL1257227 | endo-3-(8-((S)-1-phenylethyl)-8-az...)
Show SMILES C[C@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C22H26N2O2/c1-15(16-6-3-2-4-7-16)24-18-10-11-19(24)14-21(13-18)26-20-9-5-8-17(12-20)22(23)25/h2-9,12,15,18-19,21H,10-11,13-14H2,1H3,(H2,23,25)/t15-,18-,19+,21-/m0/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327253
PNG
(CHEMBL1258164 | endo-3-(8-(pyridin-2-ylmethyl)-8-a...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccn2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)14-4-3-6-18(10-14)25-19-11-16-7-8-17(12-19)23(16)13-15-5-1-2-9-22-15/h1-6,9-10,16-17,19H,7-8,11-13H2,(H2,21,24)/t16-,17+,19-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327255
PNG
(CHEMBL1258279 | endo-3-(8-(cyclohexylmethyl)-8-aza...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C21H30N2O2/c22-21(24)16-7-4-8-19(11-16)25-20-12-17-9-10-18(13-20)23(17)14-15-5-2-1-3-6-15/h4,7-8,11,15,17-18,20H,1-3,5-6,9-10,12-14H2,(H2,22,24)/t17-,18+,20-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327245
PNG
(CHEMBL1255595 | endo-3-(8-((5-methylfuran-2-yl)met...)
Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)o1 |r,TLB:5:6:12.11.13:9.8|
Show InChI InChI=1S/C20H24N2O3/c1-13-5-8-18(24-13)12-22-15-6-7-16(22)11-19(10-15)25-17-4-2-3-14(9-17)20(21)23/h2-5,8-9,15-16,19H,6-7,10-12H2,1H3,(H2,21,23)/t15-,16+,19-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327275
PNG
(CHEMBL1257347 | endo-3-(8-((R)-1-(5-methylthiophen...)
Show SMILES C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(C)s1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C21H26N2O2S/c1-13-6-9-20(26-13)14(2)23-16-7-8-17(23)12-19(11-16)25-18-5-3-4-15(10-18)21(22)24/h3-6,9-10,14,16-17,19H,7-8,11-12H2,1-2H3,(H2,22,24)/t14-,16-,17+,19-/m1/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327277
PNG
(CHEMBL1257458 | endo-3-(8-((R)-1-(6-methylpyridin-...)
Show SMILES C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(C)nc1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C22H27N3O2/c1-14-6-7-17(13-24-14)15(2)25-18-8-9-19(25)12-21(11-18)27-20-5-3-4-16(10-20)22(23)26/h3-7,10,13,15,18-19,21H,8-9,11-12H2,1-2H3,(H2,23,26)/t15-,18-,19+,21-/m1/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327279
PNG
(CHEMBL1257579 | endo-3-(8-((R)-1-(6-chloropyridin-...)
Show SMILES C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(Cl)nc1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C21H24ClN3O2/c1-13(15-5-8-20(22)24-12-15)25-16-6-7-17(25)11-19(10-16)27-18-4-2-3-14(9-18)21(23)26/h2-5,8-9,12-13,16-17,19H,6-7,10-11H2,1H3,(H2,23,26)/t13-,16-,17+,19-/m1/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327252
PNG
(CHEMBL1258048 | endo-3-(8-(pyridin-3-ylmethyl)-8-a...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccnc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)15-4-1-5-18(9-15)25-19-10-16-6-7-17(11-19)23(16)13-14-3-2-8-22-12-14/h1-5,8-9,12,16-17,19H,6-7,10-11,13H2,(H2,21,24)/t16-,17+,19-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327272
PNG
(CHEMBL1258962 | endo-3-(8-(1-(pyridin-4-yl)ethyl)-...)
Show SMILES CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccncc1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C21H25N3O2/c1-14(15-7-9-23-10-8-15)24-17-5-6-18(24)13-20(12-17)26-19-4-2-3-16(11-19)21(22)25/h2-4,7-11,14,17-18,20H,5-6,12-13H2,1H3,(H2,22,25)/t14?,17-,18+,20-
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n/an/a 3.70n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327276
PNG
(CHEMBL1257348 | endo-3-(8-((R)-1-(3-methoxyphenyl)...)
Show SMILES COc1cccc(c1)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O |r,TLB:8:10:16.15.17:13.12|
Show InChI InChI=1S/C23H28N2O3/c1-15(16-5-3-7-20(11-16)27-2)25-18-9-10-19(25)14-22(13-18)28-21-8-4-6-17(12-21)23(24)26/h3-8,11-12,15,18-19,22H,9-10,13-14H2,1-2H3,(H2,24,26)/t15-,18-,19+,22-/m1/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327270
PNG
(CHEMBL1258846 | endo-3-(8-(2-phenylpropan-2-yl)-8-...)
Show SMILES CC(C)(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1 |r,TLB:1:3:9.8.10:6.5|
Show InChI InChI=1S/C23H28N2O2/c1-23(2,17-8-4-3-5-9-17)25-18-11-12-19(25)15-21(14-18)27-20-10-6-7-16(13-20)22(24)26/h3-10,13,18-19,21H,11-12,14-15H2,1-2H3,(H2,24,26)/t18-,19+,21-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327271
PNG
(CHEMBL1258961 | endo-3-(8-(1-phenylcyclopropyl)-8-...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2(CC2)c2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C23H26N2O2/c24-22(26)16-5-4-8-20(13-16)27-21-14-18-9-10-19(15-21)25(18)23(11-12-23)17-6-2-1-3-7-17/h1-8,13,18-19,21H,9-12,14-15H2,(H2,24,26)/t18-,19+,21-
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n/an/a 4.80n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327267
PNG
(CHEMBL1258724 | endo-3-(8-(1-o-tolylethyl)-8-azabi...)
Show SMILES CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1C |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C23H28N2O2/c1-15-6-3-4-9-22(15)16(2)25-18-10-11-19(25)14-21(13-18)27-20-8-5-7-17(12-20)23(24)26/h3-9,12,16,18-19,21H,10-11,13-14H2,1-2H3,(H2,24,26)/t16?,18-,19+,21-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327265
PNG
(CHEMBL1258615 | endo-3-(8-(1-phenylethyl)-8-azabic...)
Show SMILES CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C22H26N2O2/c1-15(16-6-3-2-4-7-16)24-18-10-11-19(24)14-21(13-18)26-20-9-5-8-17(12-20)22(23)25/h2-9,12,15,18-19,21H,10-11,13-14H2,1H3,(H2,23,25)/t15?,18-,19+,21-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327261
PNG
(CHEMBL1258391 | endo-3-(8-(4-(methylsulfonylmethyl...)
Show SMILES CS(=O)(=O)Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cc1 |r,TLB:9:10:16.15.17:13.12|
Show InChI InChI=1S/C23H28N2O4S/c1-30(27,28)15-17-7-5-16(6-8-17)14-25-19-9-10-20(25)13-22(12-19)29-21-4-2-3-18(11-21)23(24)26/h2-8,11,19-20,22H,9-10,12-15H2,1H3,(H2,24,26)/t19-,20+,22-
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n/an/a 6.60n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327254
PNG
(CHEMBL1258166 | endo-3-(8-(cyclopropylmethyl)-8-az...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CC2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C18H24N2O2/c19-18(21)13-2-1-3-16(8-13)22-17-9-14-6-7-15(10-17)20(14)11-12-4-5-12/h1-3,8,12,14-15,17H,4-7,9-11H2,(H2,19,21)/t14-,15+,17-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327256
PNG
(CHEMBL1258280 | endo-3-(8-(benzo[d][1,3]dioxol-5-y...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccc3OCOc3c2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C22H24N2O4/c23-22(25)15-2-1-3-18(9-15)28-19-10-16-5-6-17(11-19)24(16)12-14-4-7-20-21(8-14)27-13-26-20/h1-4,7-9,16-17,19H,5-6,10-13H2,(H2,23,25)/t16-,17+,19-
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327273
PNG
(CHEMBL1257226 | endo-3-(8-((R)-1-phenylethyl)-8-az...)
Show SMILES C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C22H26N2O2/c1-15(16-6-3-2-4-7-16)24-18-10-11-19(24)14-21(13-18)26-20-9-5-8-17(12-20)22(23)25/h2-9,12,15,18-19,21H,10-11,13-14H2,1H3,(H2,23,25)/t15-,18-,19+,21-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327278
PNG
(CHEMBL1257459 | endo-3-(8-((R)-1-(2-chloropyridin-...)
Show SMILES C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccnc(Cl)c1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C21H24ClN3O2/c1-13(14-7-8-24-20(22)10-14)25-16-5-6-17(25)12-19(11-16)27-18-4-2-3-15(9-18)21(23)26/h2-4,7-10,13,16-17,19H,5-6,11-12H2,1H3,(H2,23,26)/t13-,16-,17+,19-/m1/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327269
PNG
(CHEMBL1258845 | endo-3-(8-cyclohexyl-8-azabicyclo[...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCC2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C20H28N2O2/c21-20(23)14-5-4-8-18(11-14)24-19-12-16-9-10-17(13-19)22(16)15-6-2-1-3-7-15/h4-5,8,11,15-17,19H,1-3,6-7,9-10,12-13H2,(H2,21,23)/t16-,17+,19-
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327244
PNG
(3-Endo-(8-((5-methylthiophen-2-yl)methyl)-8-azabic...)
Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)s1 |r,TLB:5:6:12.11.13:9.8|
Show InChI InChI=1S/C20H24N2O2S/c1-13-5-8-19(25-13)12-22-15-6-7-16(22)11-18(10-15)24-17-4-2-3-14(9-17)20(21)23/h2-5,8-9,15-16,18H,6-7,10-12H2,1H3,(H2,21,23)/t15-,16+,18-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327260
PNG
(CHEMBL1258165 | endo-3-(8-methyl-8-azabicyclo[3.2....)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O |r,TLB:0:1:7.6.8:4.3|
Show InChI InChI=1S/C15H20N2O2/c1-17-11-5-6-12(17)9-14(8-11)19-13-4-2-3-10(7-13)15(16)18/h2-4,7,11-12,14H,5-6,8-9H2,1H3,(H2,16,18)/t11-,12+,14-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327262
PNG
(CHEMBL1258392 | endo-3-(8-((1-methyl-1H-pyrazol-4-...)
Show SMILES Cn1cc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cn1 |r,TLB:4:5:11.10.12:8.7|
Show InChI InChI=1S/C19H24N4O2/c1-22-11-13(10-21-22)12-23-15-5-6-16(23)9-18(8-15)25-17-4-2-3-14(7-17)19(20)24/h2-4,7,10-11,15-16,18H,5-6,8-9,12H2,1H3,(H2,20,24)/t15-,16+,18-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327263
PNG
(CHEMBL1258502 | endo-3-(8-(2-oxo-2-(pyrrolidin-1-y...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)N2CCCC2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C20H27N3O3/c21-20(25)14-4-3-5-17(10-14)26-18-11-15-6-7-16(12-18)23(15)13-19(24)22-8-1-2-9-22/h3-5,10,15-16,18H,1-2,6-9,11-13H2,(H2,21,25)/t15-,16+,18-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327261
PNG
(CHEMBL1258391 | endo-3-(8-(4-(methylsulfonylmethyl...)
Show SMILES CS(=O)(=O)Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cc1 |r,TLB:9:10:16.15.17:13.12|
Show InChI InChI=1S/C23H28N2O4S/c1-30(27,28)15-17-7-5-16(6-8-17)14-25-19-9-10-20(25)13-22(12-19)29-21-4-2-3-18(11-21)23(24)26/h2-8,11,19-20,22H,9-10,12-15H2,1H3,(H2,24,26)/t19-,20+,22-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50130561
PNG
((R)-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dime...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C28H39N3O2/c1-19(2)26(30-27(33)25-14-21-8-5-6-9-22(21)16-29-25)18-31-13-12-28(4,20(3)17-31)23-10-7-11-24(32)15-23/h5-11,15,19-20,25-26,29,32H,12-14,16-18H2,1-4H3,(H,30,33)/t20-,25+,26+,28+/m0/s1
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n/an/a 41n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327276
PNG
(CHEMBL1257348 | endo-3-(8-((R)-1-(3-methoxyphenyl)...)
Show SMILES COc1cccc(c1)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O |r,TLB:8:10:16.15.17:13.12|
Show InChI InChI=1S/C23H28N2O3/c1-15(16-5-3-7-20(11-16)27-2)25-18-9-10-19(25)14-22(13-18)28-21-8-4-6-17(12-21)23(24)26/h3-8,11-12,15,18-19,22H,9-10,13-14H2,1-2H3,(H2,24,26)/t15-,18-,19+,22-/m1/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327248
PNG
(CHEMBL1257821 | endo-3-(8-(4-methylbenzyl)-8-azabi...)
Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cc1 |r,TLB:5:6:12.11.13:9.8|
Show InChI InChI=1S/C22H26N2O2/c1-15-5-7-16(8-6-15)14-24-18-9-10-19(24)13-21(12-18)26-20-4-2-3-17(11-20)22(23)25/h2-8,11,18-19,21H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,21-
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n/an/a 49n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327257
PNG
(3-(1-(cyclopropylmethyl)piperidin-4-yloxy)-N-(3-(3...)
Show SMILES O=C(Nc1cccc(NC(=O)c2cccc(c2)N2CCOCC2)c1)c1cccc(OC2CCN(CC3CC3)CC2)c1
Show InChI InChI=1S/C33H38N4O4/c38-32(25-4-1-8-29(20-25)37-16-18-40-19-17-37)34-27-6-3-7-28(22-27)35-33(39)26-5-2-9-31(21-26)41-30-12-14-36(15-13-30)23-24-10-11-24/h1-9,20-22,24,30H,10-19,23H2,(H,34,38)(H,35,39)
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n/an/a 77n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327279
PNG
(CHEMBL1257579 | endo-3-(8-((R)-1-(6-chloropyridin-...)
Show SMILES C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(Cl)nc1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C21H24ClN3O2/c1-13(15-5-8-20(22)24-12-15)25-16-6-7-17(25)11-19(10-16)27-18-4-2-3-14(9-18)21(23)26/h2-5,8-9,12-13,16-17,19H,6-7,10-11H2,1H3,(H2,23,26)/t13-,16-,17+,19-/m1/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327275
PNG
(CHEMBL1257347 | endo-3-(8-((R)-1-(5-methylthiophen...)
Show SMILES C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(C)s1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C21H26N2O2S/c1-13-6-9-20(26-13)14(2)23-16-7-8-17(23)12-19(11-16)25-18-5-3-4-15(10-18)21(22)24/h3-6,9-10,14,16-17,19H,7-8,11-12H2,1-2H3,(H2,22,24)/t14-,16-,17+,19-/m1/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327277
PNG
(CHEMBL1257458 | endo-3-(8-((R)-1-(6-methylpyridin-...)
Show SMILES C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(C)nc1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C22H27N3O2/c1-14-6-7-17(13-24-14)15(2)25-18-8-9-19(25)12-21(11-18)27-20-5-3-4-16(10-20)22(23)26/h3-7,10,13,15,18-19,21H,8-9,11-12H2,1-2H3,(H2,23,26)/t15-,18-,19+,21-/m1/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327249
PNG
(CHEMBL1257937 | endo-3-(8-(3-methylbenzyl)-8-azabi...)
Show SMILES Cc1cccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)c1 |r,TLB:6:7:13.12.14:10.9|
Show InChI InChI=1S/C22H26N2O2/c1-15-4-2-5-16(10-15)14-24-18-8-9-19(24)13-21(12-18)26-20-7-3-6-17(11-20)22(23)25/h2-7,10-11,18-19,21H,8-9,12-14H2,1H3,(H2,23,25)/t18-,19+,21-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327255
PNG
(CHEMBL1258279 | endo-3-(8-(cyclohexylmethyl)-8-aza...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C21H30N2O2/c22-21(24)16-7-4-8-19(11-16)25-20-12-17-9-10-18(13-20)23(17)14-15-5-2-1-3-6-15/h4,7-8,11,15,17-18,20H,1-3,5-6,9-10,12-14H2,(H2,22,24)/t17-,18+,20-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327243
PNG
(CHEMBL1257577 | endo-3-(8-(thiophen-2-ylmethyl)-8-...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccs2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C19H22N2O2S/c20-19(22)13-3-1-4-16(9-13)23-17-10-14-6-7-15(11-17)21(14)12-18-5-2-8-24-18/h1-5,8-9,14-15,17H,6-7,10-12H2,(H2,20,22)/t14-,15+,17-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327251
PNG
(CHEMBL1258047 | endo-3-(8-(pyridin-4-ylmethyl)-8-a...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccncc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)15-2-1-3-18(10-15)25-19-11-16-4-5-17(12-19)23(16)13-14-6-8-22-9-7-14/h1-3,6-10,16-17,19H,4-5,11-13H2,(H2,21,24)/t16-,17+,19-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327264
PNG
(CHEMBL1258503 | endo-3-(8-(2-oxo-2-(phenylamino)et...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)Nc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C22H25N3O3/c23-22(27)15-5-4-8-19(11-15)28-20-12-17-9-10-18(13-20)25(17)14-21(26)24-16-6-2-1-3-7-16/h1-8,11,17-18,20H,9-10,12-14H2,(H2,23,27)(H,24,26)/t17-,18+,20-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325855
PNG
(CHEMBL1223951 | exo-3-((1R,3s,5S)-8-benzyl-8-azabi...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C21H24N2O2/c22-21(24)16-7-4-8-19(11-16)25-20-12-17-9-10-18(13-20)23(17)14-15-5-2-1-3-6-15/h1-8,11,17-18,20H,9-10,12-14H2,(H2,22,24)/t17-,18+,20-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327256
PNG
(CHEMBL1258280 | endo-3-(8-(benzo[d][1,3]dioxol-5-y...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccc3OCOc3c2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C22H24N2O4/c23-22(25)15-2-1-3-18(9-15)28-19-10-16-5-6-17(11-19)24(16)12-14-4-7-20-21(8-14)27-13-26-20/h1-4,7-9,16-17,19H,5-6,10-13H2,(H2,23,25)/t16-,17+,19-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327278
PNG
(CHEMBL1257459 | endo-3-(8-((R)-1-(2-chloropyridin-...)
Show SMILES C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccnc(Cl)c1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C21H24ClN3O2/c1-13(14-7-8-24-20(22)10-14)25-16-5-6-17(25)12-19(11-16)27-18-4-2-3-15(9-18)21(23)26/h2-4,7-10,13,16-17,19H,5-6,11-12H2,1H3,(H2,23,26)/t13-,16-,17+,19-/m1/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327247
PNG
(CHEMBL1257820 | endo-3-(8-(3-phenylpropyl)-8-azabi...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C23H28N2O2/c24-23(26)18-9-4-10-21(14-18)27-22-15-19-11-12-20(16-22)25(19)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,14,19-20,22H,5,8,11-13,15-16H2,(H2,24,26)/t19-,20+,22-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327264
PNG
(CHEMBL1258503 | endo-3-(8-(2-oxo-2-(phenylamino)et...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)Nc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C22H25N3O3/c23-22(27)15-5-4-8-19(11-15)28-20-12-17-9-10-18(13-20)25(17)14-21(26)24-16-6-2-1-3-7-16/h1-8,11,17-18,20H,9-10,12-14H2,(H2,23,27)(H,24,26)/t17-,18+,20-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327266
PNG
(CHEMBL1258616 | endo-3-(8-(1-(5-methylthiophen-2-y...)
Show SMILES CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(C)s1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C21H26N2O2S/c1-13-6-9-20(26-13)14(2)23-16-7-8-17(23)12-19(11-16)25-18-5-3-4-15(10-18)21(22)24/h3-6,9-10,14,16-17,19H,7-8,11-12H2,1-2H3,(H2,22,24)/t14?,16-,17+,19-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327245
PNG
(CHEMBL1255595 | endo-3-(8-((5-methylfuran-2-yl)met...)
Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)o1 |r,TLB:5:6:12.11.13:9.8|
Show InChI InChI=1S/C20H24N2O3/c1-13-5-8-18(24-13)12-22-15-6-7-16(22)11-19(10-15)25-17-4-2-3-14(9-17)20(21)23/h2-5,8-9,15-16,19H,6-7,10-12H2,1H3,(H2,21,23)/t15-,16+,19-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327246
PNG
(CHEMBL1257698 | endo-3-(8-phenethyl-8-azabicyclo[3...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C22H26N2O2/c23-22(25)17-7-4-8-20(13-17)26-21-14-18-9-10-19(15-21)24(18)12-11-16-5-2-1-3-6-16/h1-8,13,18-19,21H,9-12,14-15H2,(H2,23,25)/t18-,19+,21-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327252
PNG
(CHEMBL1258048 | endo-3-(8-(pyridin-3-ylmethyl)-8-a...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccnc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)15-4-1-5-18(9-15)25-19-10-16-6-7-17(11-19)23(16)13-14-3-2-8-22-12-14/h1-5,8-9,12,16-17,19H,6-7,10-11,13H2,(H2,21,24)/t16-,17+,19-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327248
PNG
(CHEMBL1257821 | endo-3-(8-(4-methylbenzyl)-8-azabi...)
Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cc1 |r,TLB:5:6:12.11.13:9.8|
Show InChI InChI=1S/C22H26N2O2/c1-15-5-7-16(8-6-15)14-24-18-9-10-19(24)13-21(12-18)26-20-4-2-3-17(11-20)22(23)25/h2-8,11,18-19,21H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,21-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327262
PNG
(CHEMBL1258392 | endo-3-(8-((1-methyl-1H-pyrazol-4-...)
Show SMILES Cn1cc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cn1 |r,TLB:4:5:11.10.12:8.7|
Show InChI InChI=1S/C19H24N4O2/c1-22-11-13(10-21-22)12-23-15-5-6-16(23)9-18(8-15)25-17-4-2-3-14(7-17)19(20)24/h2-4,7,10-11,15-16,18H,5-6,8-9,12H2,1H3,(H2,20,24)/t15-,16+,18-
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n/an/a 524n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327261
PNG
(CHEMBL1258391 | endo-3-(8-(4-(methylsulfonylmethyl...)
Show SMILES CS(=O)(=O)Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cc1 |r,TLB:9:10:16.15.17:13.12|
Show InChI InChI=1S/C23H28N2O4S/c1-30(27,28)15-17-7-5-16(6-8-17)14-25-19-9-10-20(25)13-22(12-19)29-21-4-2-3-18(11-21)23(24)26/h2-8,11,19-20,22H,9-10,12-15H2,1H3,(H2,24,26)/t19-,20+,22-
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n/an/a 576n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327259
PNG
(3-(1-benzylpiperidin-4-yloxy)benzamide | CHEMBL125...)
Show SMILES NC(=O)c1cccc(OC2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C19H22N2O2/c20-19(22)16-7-4-8-18(13-16)23-17-9-11-21(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17H,9-12,14H2,(H2,20,22)
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n/an/a 585n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327250
PNG
(CHEMBL1257938 | endo-3-(8-(2-methylbenzyl)-8-azabi...)
Show SMILES Cc1ccccc1CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O |r,TLB:7:8:14.13.15:11.10|
Show InChI InChI=1S/C22H26N2O2/c1-15-5-2-3-6-17(15)14-24-18-9-10-19(24)13-21(12-18)26-20-8-4-7-16(11-20)22(23)25/h2-8,11,18-19,21H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,21-
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n/an/a 620n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327247
PNG
(CHEMBL1257820 | endo-3-(8-(3-phenylpropyl)-8-azabi...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C23H28N2O2/c24-23(26)18-9-4-10-21(14-18)27-22-15-19-11-12-20(16-22)25(19)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,14,19-20,22H,5,8,11-13,15-16H2,(H2,24,26)/t19-,20+,22-
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n/an/a 659n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327273
PNG
(CHEMBL1257226 | endo-3-(8-((R)-1-phenylethyl)-8-az...)
Show SMILES C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C22H26N2O2/c1-15(16-6-3-2-4-7-16)24-18-10-11-19(24)14-21(13-18)26-20-9-5-8-17(12-20)22(23)25/h2-9,12,15,18-19,21H,10-11,13-14H2,1H3,(H2,23,25)/t15-,18-,19+,21-/m1/s1
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n/an/a 683n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327244
PNG
(3-Endo-(8-((5-methylthiophen-2-yl)methyl)-8-azabic...)
Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)s1 |r,TLB:5:6:12.11.13:9.8|
Show InChI InChI=1S/C20H24N2O2S/c1-13-5-8-19(25-13)12-22-15-6-7-16(22)11-18(10-15)24-17-4-2-3-14(9-17)20(21)23/h2-5,8-9,15-16,18H,6-7,10-12H2,1H3,(H2,21,23)/t15-,16+,18-
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n/an/a 722n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327246
PNG
(CHEMBL1257698 | endo-3-(8-phenethyl-8-azabicyclo[3...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C22H26N2O2/c23-22(25)17-7-4-8-20(13-17)26-21-14-18-9-10-19(15-21)24(18)12-11-16-5-2-1-3-6-16/h1-8,13,18-19,21H,9-12,14-15H2,(H2,23,25)/t18-,19+,21-
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n/an/a 754n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327267
PNG
(CHEMBL1258724 | endo-3-(8-(1-o-tolylethyl)-8-azabi...)
Show SMILES CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1C |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C23H28N2O2/c1-15-6-3-4-9-22(15)16(2)25-18-10-11-19(25)14-21(13-18)27-20-8-5-7-17(12-20)23(24)26/h3-9,12,16,18-19,21H,10-11,13-14H2,1-2H3,(H2,24,26)/t16?,18-,19+,21-
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n/an/a 846n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327265
PNG
(CHEMBL1258615 | endo-3-(8-(1-phenylethyl)-8-azabic...)
Show SMILES CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C22H26N2O2/c1-15(16-6-3-2-4-7-16)24-18-10-11-19(24)14-21(13-18)26-20-9-5-8-17(12-20)22(23)25/h2-9,12,15,18-19,21H,10-11,13-14H2,1H3,(H2,23,25)/t15?,18-,19+,21-
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327276
PNG
(CHEMBL1257348 | endo-3-(8-((R)-1-(3-methoxyphenyl)...)
Show SMILES COc1cccc(c1)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O |r,TLB:8:10:16.15.17:13.12|
Show InChI InChI=1S/C23H28N2O3/c1-15(16-5-3-7-20(11-16)27-2)25-18-9-10-19(25)14-22(13-18)28-21-8-4-6-17(12-21)23(24)26/h3-8,11-12,15,18-19,22H,9-10,13-14H2,1-2H3,(H2,24,26)/t15-,18-,19+,22-/m1/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327269
PNG
(CHEMBL1258845 | endo-3-(8-cyclohexyl-8-azabicyclo[...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCC2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C20H28N2O2/c21-20(23)14-5-4-8-18(11-14)24-19-12-16-9-10-17(13-19)22(16)15-6-2-1-3-7-15/h4-5,8,11,15-17,19H,1-3,6-7,9-10,12-13H2,(H2,21,23)/t16-,17+,19-
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n/an/a 1.13E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50130561
PNG
((R)-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dime...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C28H39N3O2/c1-19(2)26(30-27(33)25-14-21-8-5-6-9-22(21)16-29-25)18-31-13-12-28(4,20(3)17-31)23-10-7-11-24(32)15-23/h5-11,15,19-20,25-26,29,32H,12-14,16-18H2,1-4H3,(H,30,33)/t20-,25+,26+,28+/m0/s1
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n/an/a 1.28E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327272
PNG
(CHEMBL1258962 | endo-3-(8-(1-(pyridin-4-yl)ethyl)-...)
Show SMILES CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccncc1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C21H25N3O2/c1-14(15-7-9-23-10-8-15)24-17-5-6-18(24)13-20(12-17)26-19-4-2-3-16(11-19)21(22)25/h2-4,7-11,14,17-18,20H,5-6,12-13H2,1H3,(H2,22,25)/t14?,17-,18+,20-
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n/an/a 1.41E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327255
PNG
(CHEMBL1258279 | endo-3-(8-(cyclohexylmethyl)-8-aza...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C21H30N2O2/c22-21(24)16-7-4-8-19(11-16)25-20-12-17-9-10-18(13-20)23(17)14-15-5-2-1-3-6-15/h4,7-8,11,15,17-18,20H,1-3,5-6,9-10,12-14H2,(H2,22,24)/t17-,18+,20-
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n/an/a 1.83E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327277
PNG
(CHEMBL1257458 | endo-3-(8-((R)-1-(6-methylpyridin-...)
Show SMILES C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(C)nc1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C22H27N3O2/c1-14-6-7-17(13-24-14)15(2)25-18-8-9-19(25)12-21(11-18)27-20-5-3-4-16(10-20)22(23)26/h3-7,10,13,15,18-19,21H,8-9,11-12H2,1-2H3,(H2,23,26)/t15-,18-,19+,21-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327279
PNG
(CHEMBL1257579 | endo-3-(8-((R)-1-(6-chloropyridin-...)
Show SMILES C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(Cl)nc1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C21H24ClN3O2/c1-13(15-5-8-20(22)24-12-15)25-16-6-7-17(25)11-19(10-16)27-18-4-2-3-14(9-18)21(23)26/h2-5,8-9,12-13,16-17,19H,6-7,10-11H2,1H3,(H2,23,26)/t13-,16-,17+,19-/m1/s1
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n/an/a 1.94E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327246
PNG
(CHEMBL1257698 | endo-3-(8-phenethyl-8-azabicyclo[3...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C22H26N2O2/c23-22(25)17-7-4-8-20(13-17)26-21-14-18-9-10-19(15-21)24(18)12-11-16-5-2-1-3-6-16/h1-8,13,18-19,21H,9-12,14-15H2,(H2,23,25)/t18-,19+,21-
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n/an/a 2.15E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327268
PNG
(CHEMBL1258725 | endo-3-(8-(1,2,3,4-tetrahydronapht...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCc3ccccc23)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C24H28N2O2/c25-24(27)17-7-3-8-20(13-17)28-21-14-18-11-12-19(15-21)26(18)23-10-4-6-16-5-1-2-9-22(16)23/h1-3,5,7-9,13,18-19,21,23H,4,6,10-12,14-15H2,(H2,25,27)/t18-,19+,21-,23?
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n/an/a 2.19E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327249
PNG
(CHEMBL1257937 | endo-3-(8-(3-methylbenzyl)-8-azabi...)
Show SMILES Cc1cccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)c1 |r,TLB:6:7:13.12.14:10.9|
Show InChI InChI=1S/C22H26N2O2/c1-15-4-2-5-16(10-15)14-24-18-8-9-19(24)13-21(12-18)26-20-7-3-6-17(11-20)22(23)25/h2-7,10-11,18-19,21H,8-9,12-14H2,1H3,(H2,23,25)/t18-,19+,21-
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n/an/a 2.65E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327264
PNG
(CHEMBL1258503 | endo-3-(8-(2-oxo-2-(phenylamino)et...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)Nc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C22H25N3O3/c23-22(27)15-5-4-8-19(11-15)28-20-12-17-9-10-18(13-20)25(17)14-21(26)24-16-6-2-1-3-7-16/h1-8,11,17-18,20H,9-10,12-14H2,(H2,23,27)(H,24,26)/t17-,18+,20-
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n/an/a 2.67E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327275
PNG
(CHEMBL1257347 | endo-3-(8-((R)-1-(5-methylthiophen...)
Show SMILES C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(C)s1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C21H26N2O2S/c1-13-6-9-20(26-13)14(2)23-16-7-8-17(23)12-19(11-16)25-18-5-3-4-15(10-18)21(22)24/h3-6,9-10,14,16-17,19H,7-8,11-12H2,1-2H3,(H2,22,24)/t14-,16-,17+,19-/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327252
PNG
(CHEMBL1258048 | endo-3-(8-(pyridin-3-ylmethyl)-8-a...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccnc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)15-4-1-5-18(9-15)25-19-10-16-6-7-17(11-19)23(16)13-14-3-2-8-22-12-14/h1-5,8-9,12,16-17,19H,6-7,10-11,13H2,(H2,21,24)/t16-,17+,19-
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n/an/a 2.89E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327253
PNG
(CHEMBL1258164 | endo-3-(8-(pyridin-2-ylmethyl)-8-a...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccn2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)14-4-3-6-18(10-14)25-19-11-16-7-8-17(12-19)23(16)13-15-5-1-2-9-22-15/h1-6,9-10,16-17,19H,7-8,11-13H2,(H2,21,24)/t16-,17+,19-
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n/an/a 3.16E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327263
PNG
(CHEMBL1258502 | endo-3-(8-(2-oxo-2-(pyrrolidin-1-y...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)N2CCCC2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C20H27N3O3/c21-20(25)14-4-3-5-17(10-14)26-18-11-15-6-7-16(12-18)23(15)13-19(24)22-8-1-2-9-22/h3-5,10,15-16,18H,1-2,6-9,11-13H2,(H2,21,25)/t15-,16+,18-
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n/an/a 3.41E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327247
PNG
(CHEMBL1257820 | endo-3-(8-(3-phenylpropyl)-8-azabi...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C23H28N2O2/c24-23(26)18-9-4-10-21(14-18)27-22-15-19-11-12-20(16-22)25(19)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,14,19-20,22H,5,8,11-13,15-16H2,(H2,24,26)/t19-,20+,22-
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n/an/a 4.00E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327256
PNG
(CHEMBL1258280 | endo-3-(8-(benzo[d][1,3]dioxol-5-y...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccc3OCOc3c2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C22H24N2O4/c23-22(25)15-2-1-3-18(9-15)28-19-10-16-5-6-17(11-19)24(16)12-14-4-7-20-21(8-14)27-13-26-20/h1-4,7-9,16-17,19H,5-6,10-13H2,(H2,23,25)/t16-,17+,19-
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n/an/a 4.84E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327261
PNG
(CHEMBL1258391 | endo-3-(8-(4-(methylsulfonylmethyl...)
Show SMILES CS(=O)(=O)Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cc1 |r,TLB:9:10:16.15.17:13.12|
Show InChI InChI=1S/C23H28N2O4S/c1-30(27,28)15-17-7-5-16(6-8-17)14-25-19-9-10-20(25)13-22(12-19)29-21-4-2-3-18(11-21)23(24)26/h2-8,11,19-20,22H,9-10,12-15H2,1H3,(H2,24,26)/t19-,20+,22-
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n/an/a 5.39E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327254
PNG
(CHEMBL1258166 | endo-3-(8-(cyclopropylmethyl)-8-az...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CC2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C18H24N2O2/c19-18(21)13-2-1-3-16(8-13)22-17-9-14-6-7-15(10-17)20(14)11-12-4-5-12/h1-3,8,12,14-15,17H,4-7,9-11H2,(H2,19,21)/t14-,15+,17-
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n/an/a 6.69E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327251
PNG
(CHEMBL1258047 | endo-3-(8-(pyridin-4-ylmethyl)-8-a...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccncc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)15-2-1-3-18(10-15)25-19-11-16-4-5-17(12-19)23(16)13-14-6-8-22-9-7-14/h1-3,6-10,16-17,19H,4-5,11-13H2,(H2,21,24)/t16-,17+,19-
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n/an/a 7.85E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327244
PNG
(3-Endo-(8-((5-methylthiophen-2-yl)methyl)-8-azabic...)
Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)s1 |r,TLB:5:6:12.11.13:9.8|
Show InChI InChI=1S/C20H24N2O2S/c1-13-5-8-19(25-13)12-22-15-6-7-16(22)11-18(10-15)24-17-4-2-3-14(9-17)20(21)23/h2-5,8-9,15-16,18H,6-7,10-12H2,1H3,(H2,21,23)/t15-,16+,18-
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n/an/a 8.31E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327266
PNG
(CHEMBL1258616 | endo-3-(8-(1-(5-methylthiophen-2-y...)
Show SMILES CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(C)s1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C21H26N2O2S/c1-13-6-9-20(26-13)14(2)23-16-7-8-17(23)12-19(11-16)25-18-5-3-4-15(10-18)21(22)24/h3-6,9-10,14,16-17,19H,7-8,11-12H2,1-2H3,(H2,22,24)/t14?,16-,17+,19-
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n/an/a 8.50E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327243
PNG
(CHEMBL1257577 | endo-3-(8-(thiophen-2-ylmethyl)-8-...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccs2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C19H22N2O2S/c20-19(22)13-3-1-4-16(9-13)23-17-10-14-6-7-15(11-17)21(14)12-18-5-2-8-24-18/h1-5,8-9,14-15,17H,6-7,10-12H2,(H2,20,22)/t14-,15+,17-
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n/an/a 9.36E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327269
PNG
(CHEMBL1258845 | endo-3-(8-cyclohexyl-8-azabicyclo[...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCC2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C20H28N2O2/c21-20(23)14-5-4-8-18(11-14)24-19-12-16-9-10-17(13-19)22(16)15-6-2-1-3-7-15/h4-5,8,11,15-17,19H,1-3,6-7,9-10,12-13H2,(H2,21,23)/t16-,17+,19-
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n/an/a 9.41E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327262
PNG
(CHEMBL1258392 | endo-3-(8-((1-methyl-1H-pyrazol-4-...)
Show SMILES Cn1cc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cn1 |r,TLB:4:5:11.10.12:8.7|
Show InChI InChI=1S/C19H24N4O2/c1-22-11-13(10-21-22)12-23-15-5-6-16(23)9-18(8-15)25-17-4-2-3-14(7-17)19(20)24/h2-4,7,10-11,15-16,18H,5-6,8-9,12H2,1H3,(H2,20,24)/t15-,16+,18-
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n/an/a 9.43E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325855
PNG
(CHEMBL1223951 | exo-3-((1R,3s,5S)-8-benzyl-8-azabi...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C21H24N2O2/c22-21(24)16-7-4-8-19(11-16)25-20-12-17-9-10-18(13-20)23(17)14-15-5-2-1-3-6-15/h1-8,11,17-18,20H,9-10,12-14H2,(H2,22,24)/t17-,18+,20-
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n/an/a 1.07E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327245
PNG
(CHEMBL1255595 | endo-3-(8-((5-methylfuran-2-yl)met...)
Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)o1 |r,TLB:5:6:12.11.13:9.8|
Show InChI InChI=1S/C20H24N2O3/c1-13-5-8-18(24-13)12-22-15-6-7-16(22)11-19(10-15)25-17-4-2-3-14(9-17)20(21)23/h2-5,8-9,15-16,19H,6-7,10-12H2,1H3,(H2,21,23)/t15-,16+,19-
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n/an/a 1.09E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327248
PNG
(CHEMBL1257821 | endo-3-(8-(4-methylbenzyl)-8-azabi...)
Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cc1 |r,TLB:5:6:12.11.13:9.8|
Show InChI InChI=1S/C22H26N2O2/c1-15-5-7-16(8-6-15)14-24-18-9-10-19(24)13-21(12-18)26-20-4-2-3-17(11-20)22(23)25/h2-8,11,18-19,21H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,21-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327249
PNG
(CHEMBL1257937 | endo-3-(8-(3-methylbenzyl)-8-azabi...)
Show SMILES Cc1cccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)c1 |r,TLB:6:7:13.12.14:10.9|
Show InChI InChI=1S/C22H26N2O2/c1-15-4-2-5-16(10-15)14-24-18-8-9-19(24)13-21(12-18)26-20-7-3-6-17(11-20)22(23)25/h2-7,10-11,18-19,21H,8-9,12-14H2,1H3,(H2,23,25)/t18-,19+,21-
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n/an/a 1.11E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327260
PNG
(CHEMBL1258165 | endo-3-(8-methyl-8-azabicyclo[3.2....)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O |r,TLB:0:1:7.6.8:4.3|
Show InChI InChI=1S/C15H20N2O2/c1-17-11-5-6-12(17)9-14(8-11)19-13-4-2-3-10(7-13)15(16)18/h2-4,7,11-12,14H,5-6,8-9H2,1H3,(H2,16,18)/t11-,12+,14-
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n/an/a 1.26E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327270
PNG
(CHEMBL1258846 | endo-3-(8-(2-phenylpropan-2-yl)-8-...)
Show SMILES CC(C)(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1 |r,TLB:1:3:9.8.10:6.5|
Show InChI InChI=1S/C23H28N2O2/c1-23(2,17-8-4-3-5-9-17)25-18-11-12-19(25)15-21(14-18)27-20-10-6-7-16(13-20)22(24)26/h3-10,13,18-19,21H,11-12,14-15H2,1-2H3,(H2,24,26)/t18-,19+,21-
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n/an/a 1.33E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327267
PNG
(CHEMBL1258724 | endo-3-(8-(1-o-tolylethyl)-8-azabi...)
Show SMILES CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1C |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C23H28N2O2/c1-15-6-3-4-9-22(15)16(2)25-18-10-11-19(25)14-21(13-18)27-20-8-5-7-17(12-20)23(24)26/h3-9,12,16,18-19,21H,10-11,13-14H2,1-2H3,(H2,24,26)/t16?,18-,19+,21-
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n/an/a 1.68E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327250
PNG
(CHEMBL1257938 | endo-3-(8-(2-methylbenzyl)-8-azabi...)
Show SMILES Cc1ccccc1CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O |r,TLB:7:8:14.13.15:11.10|
Show InChI InChI=1S/C22H26N2O2/c1-15-5-2-3-6-17(15)14-24-18-9-10-19(24)13-21(12-18)26-20-8-4-7-16(11-20)22(23)25/h2-8,11,18-19,21H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,21-
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n/an/a 1.76E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327253
PNG
(CHEMBL1258164 | endo-3-(8-(pyridin-2-ylmethyl)-8-a...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccn2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)14-4-3-6-18(10-14)25-19-11-16-7-8-17(12-19)23(16)13-15-5-1-2-9-22-15/h1-6,9-10,16-17,19H,7-8,11-13H2,(H2,21,24)/t16-,17+,19-
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n/an/a 1.90E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327265
PNG
(CHEMBL1258615 | endo-3-(8-(1-phenylethyl)-8-azabic...)
Show SMILES CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C22H26N2O2/c1-15(16-6-3-2-4-7-16)24-18-10-11-19(24)14-21(13-18)26-20-9-5-8-17(12-20)22(23)25/h2-9,12,15,18-19,21H,10-11,13-14H2,1H3,(H2,23,25)/t15?,18-,19+,21-
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n/an/a 1.98E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327274
PNG
(CHEMBL1257227 | endo-3-(8-((S)-1-phenylethyl)-8-az...)
Show SMILES C[C@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C22H26N2O2/c1-15(16-6-3-2-4-7-16)24-18-10-11-19(24)14-21(13-18)26-20-9-5-8-17(12-20)22(23)25/h2-9,12,15,18-19,21H,10-11,13-14H2,1H3,(H2,23,25)/t15-,18-,19+,21-/m0/s1
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n/an/a 2.05E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327263
PNG
(CHEMBL1258502 | endo-3-(8-(2-oxo-2-(pyrrolidin-1-y...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)N2CCCC2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C20H27N3O3/c21-20(25)14-4-3-5-17(10-14)26-18-11-15-6-7-16(12-18)23(15)13-19(24)22-8-1-2-9-22/h3-5,10,15-16,18H,1-2,6-9,11-13H2,(H2,21,25)/t15-,16+,18-
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n/an/a 2.11E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327252
PNG
(CHEMBL1258048 | endo-3-(8-(pyridin-3-ylmethyl)-8-a...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccnc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)15-4-1-5-18(9-15)25-19-10-16-6-7-17(11-19)23(16)13-14-3-2-8-22-12-14/h1-5,8-9,12,16-17,19H,6-7,10-11,13H2,(H2,21,24)/t16-,17+,19-
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n/an/a>2.19E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327245
PNG
(CHEMBL1255595 | endo-3-(8-((5-methylfuran-2-yl)met...)
Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)o1 |r,TLB:5:6:12.11.13:9.8|
Show InChI InChI=1S/C20H24N2O3/c1-13-5-8-18(24-13)12-22-15-6-7-16(22)11-19(10-15)25-17-4-2-3-14(9-17)20(21)23/h2-5,8-9,15-16,19H,6-7,10-12H2,1H3,(H2,21,23)/t15-,16+,19-
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n/an/a 2.20E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327268
PNG
(CHEMBL1258725 | endo-3-(8-(1,2,3,4-tetrahydronapht...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCc3ccccc23)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C24H28N2O2/c25-24(27)17-7-3-8-20(13-17)28-21-14-18-11-12-19(15-21)26(18)23-10-4-6-16-5-1-2-9-22(16)23/h1-3,5,7-9,13,18-19,21,23H,4,6,10-12,14-15H2,(H2,25,27)/t18-,19+,21-,23?
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n/an/a 2.27E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327278
PNG
(CHEMBL1257459 | endo-3-(8-((R)-1-(2-chloropyridin-...)
Show SMILES C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccnc(Cl)c1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C21H24ClN3O2/c1-13(14-7-8-24-20(22)10-14)25-16-5-6-17(25)12-19(11-16)27-18-4-2-3-15(9-18)21(23)26/h2-4,7-10,13,16-17,19H,5-6,11-12H2,1H3,(H2,23,26)/t13-,16-,17+,19-/m1/s1
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n/an/a 2.29E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327271
PNG
(CHEMBL1258961 | endo-3-(8-(1-phenylcyclopropyl)-8-...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2(CC2)c2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C23H26N2O2/c24-22(26)16-5-4-8-20(13-16)27-21-14-18-9-10-19(15-21)25(18)23(11-12-23)17-6-2-1-3-7-17/h1-8,13,18-19,21H,9-12,14-15H2,(H2,24,26)/t18-,19+,21-
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n/an/a 2.42E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327273
PNG
(CHEMBL1257226 | endo-3-(8-((R)-1-phenylethyl)-8-az...)
Show SMILES C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C22H26N2O2/c1-15(16-6-3-2-4-7-16)24-18-10-11-19(24)14-21(13-18)26-20-9-5-8-17(12-20)22(23)25/h2-9,12,15,18-19,21H,10-11,13-14H2,1H3,(H2,23,25)/t15-,18-,19+,21-/m1/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327251
PNG
(CHEMBL1258047 | endo-3-(8-(pyridin-4-ylmethyl)-8-a...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccncc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)15-2-1-3-18(10-15)25-19-11-16-4-5-17(12-19)23(16)13-14-6-8-22-9-7-14/h1-3,6-10,16-17,19H,4-5,11-13H2,(H2,21,24)/t16-,17+,19-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327262
PNG
(CHEMBL1258392 | endo-3-(8-((1-methyl-1H-pyrazol-4-...)
Show SMILES Cn1cc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cn1 |r,TLB:4:5:11.10.12:8.7|
Show InChI InChI=1S/C19H24N4O2/c1-22-11-13(10-21-22)12-23-15-5-6-16(23)9-18(8-15)25-17-4-2-3-14(7-17)19(20)24/h2-4,7,10-11,15-16,18H,5-6,8-9,12H2,1H3,(H2,20,24)/t15-,16+,18-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50325855
PNG
(CHEMBL1223951 | exo-3-((1R,3s,5S)-8-benzyl-8-azabi...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C21H24N2O2/c22-21(24)16-7-4-8-19(11-16)25-20-12-17-9-10-18(13-20)23(17)14-15-5-2-1-3-6-15/h1-8,11,17-18,20H,9-10,12-14H2,(H2,22,24)/t17-,18+,20-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327258
PNG
(3-(1-(cyclopropylmethyl)piperidin-4-yloxy)benzamid...)
Show SMILES NC(=O)c1cccc(OC2CCN(CC3CC3)CC2)c1
Show InChI InChI=1S/C16H22N2O2/c17-16(19)13-2-1-3-15(10-13)20-14-6-8-18(9-7-14)11-12-4-5-12/h1-3,10,12,14H,4-9,11H2,(H2,17,19)
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n/an/a 2.82E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327274
PNG
(CHEMBL1257227 | endo-3-(8-((S)-1-phenylethyl)-8-az...)
Show SMILES C[C@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C22H26N2O2/c1-15(16-6-3-2-4-7-16)24-18-10-11-19(24)14-21(13-18)26-20-9-5-8-17(12-20)22(23)25/h2-9,12,15,18-19,21H,10-11,13-14H2,1H3,(H2,23,25)/t15-,18-,19+,21-/m0/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327255
PNG
(CHEMBL1258279 | endo-3-(8-(cyclohexylmethyl)-8-aza...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C21H30N2O2/c22-21(24)16-7-4-8-19(11-16)25-20-12-17-9-10-18(13-20)23(17)14-15-5-2-1-3-6-15/h4,7-8,11,15,17-18,20H,1-3,5-6,9-10,12-14H2,(H2,22,24)/t17-,18+,20-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327257
PNG
(3-(1-(cyclopropylmethyl)piperidin-4-yloxy)-N-(3-(3...)
Show SMILES O=C(Nc1cccc(NC(=O)c2cccc(c2)N2CCOCC2)c1)c1cccc(OC2CCN(CC3CC3)CC2)c1
Show InChI InChI=1S/C33H38N4O4/c38-32(25-4-1-8-29(20-25)37-16-18-40-19-17-37)34-27-6-3-7-28(22-27)35-33(39)26-5-2-9-31(21-26)41-30-12-14-36(15-13-30)23-24-10-11-24/h1-9,20-22,24,30H,10-19,23H2,(H,34,38)(H,35,39)
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327250
PNG
(CHEMBL1257938 | endo-3-(8-(2-methylbenzyl)-8-azabi...)
Show SMILES Cc1ccccc1CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O |r,TLB:7:8:14.13.15:11.10|
Show InChI InChI=1S/C22H26N2O2/c1-15-5-2-3-6-17(15)14-24-18-9-10-19(24)13-21(12-18)26-20-8-4-7-16(11-20)22(23)25/h2-8,11,18-19,21H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,21-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327243
PNG
(CHEMBL1257577 | endo-3-(8-(thiophen-2-ylmethyl)-8-...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccs2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C19H22N2O2S/c20-19(22)13-3-1-4-16(9-13)23-17-10-14-6-7-15(11-17)21(14)12-18-5-2-8-24-18/h1-5,8-9,14-15,17H,6-7,10-12H2,(H2,20,22)/t14-,15+,17-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327257
PNG
(3-(1-(cyclopropylmethyl)piperidin-4-yloxy)-N-(3-(3...)
Show SMILES O=C(Nc1cccc(NC(=O)c2cccc(c2)N2CCOCC2)c1)c1cccc(OC2CCN(CC3CC3)CC2)c1
Show InChI InChI=1S/C33H38N4O4/c38-32(25-4-1-8-29(20-25)37-16-18-40-19-17-37)34-27-6-3-7-28(22-27)35-33(39)26-5-2-9-31(21-26)41-30-12-14-36(15-13-30)23-24-10-11-24/h1-9,20-22,24,30H,10-19,23H2,(H,34,38)(H,35,39)
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327272
PNG
(CHEMBL1258962 | endo-3-(8-(1-(pyridin-4-yl)ethyl)-...)
Show SMILES CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccncc1 |r,TLB:1:2:8.7.9:5.4|
Show InChI InChI=1S/C21H25N3O2/c1-14(15-7-9-23-10-8-15)24-17-5-6-18(24)13-20(12-17)26-19-4-2-3-16(11-19)21(22)25/h2-4,7-11,14,17-18,20H,5-6,12-13H2,1H3,(H2,22,25)/t14?,17-,18+,20-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327263
PNG
(CHEMBL1258502 | endo-3-(8-(2-oxo-2-(pyrrolidin-1-y...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)N2CCCC2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C20H27N3O3/c21-20(25)14-4-3-5-17(10-14)26-18-11-15-6-7-16(12-18)23(15)13-19(24)22-8-1-2-9-22/h3-5,10,15-16,18H,1-2,6-9,11-13H2,(H2,21,25)/t15-,16+,18-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327271
PNG
(CHEMBL1258961 | endo-3-(8-(1-phenylcyclopropyl)-8-...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2(CC2)c2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C23H26N2O2/c24-22(26)16-5-4-8-20(13-16)27-21-14-18-9-10-19(15-21)25(18)23(11-12-23)17-6-2-1-3-7-17/h1-8,13,18-19,21H,9-12,14-15H2,(H2,24,26)/t18-,19+,21-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327259
PNG
(3-(1-benzylpiperidin-4-yloxy)benzamide | CHEMBL125...)
Show SMILES NC(=O)c1cccc(OC2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C19H22N2O2/c20-19(22)16-7-4-8-18(13-16)23-17-9-11-21(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17H,9-12,14H2,(H2,20,22)
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327253
PNG
(CHEMBL1258164 | endo-3-(8-(pyridin-2-ylmethyl)-8-a...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccn2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)14-4-3-6-18(10-14)25-19-11-16-7-8-17(12-19)23(16)13-15-5-1-2-9-22-15/h1-6,9-10,16-17,19H,7-8,11-13H2,(H2,21,24)/t16-,17+,19-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327254
PNG
(CHEMBL1258166 | endo-3-(8-(cyclopropylmethyl)-8-az...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CC2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C18H24N2O2/c19-18(21)13-2-1-3-16(8-13)22-17-9-14-6-7-15(10-17)20(14)11-12-4-5-12/h1-3,8,12,14-15,17H,4-7,9-11H2,(H2,19,21)/t14-,15+,17-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327254
PNG
(CHEMBL1258166 | endo-3-(8-(cyclopropylmethyl)-8-az...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CC2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C18H24N2O2/c19-18(21)13-2-1-3-16(8-13)22-17-9-14-6-7-15(10-17)20(14)11-12-4-5-12/h1-3,8,12,14-15,17H,4-7,9-11H2,(H2,19,21)/t14-,15+,17-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327259
PNG
(3-(1-benzylpiperidin-4-yloxy)benzamide | CHEMBL125...)
Show SMILES NC(=O)c1cccc(OC2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C19H22N2O2/c20-19(22)16-7-4-8-18(13-16)23-17-9-11-21(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17H,9-12,14H2,(H2,20,22)
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%