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PubMed code 20719509

Compile data set for download or QSAR
Found 93 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))
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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n/an/a 2.10n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325848
PNG
(8-azabicyclo[3.2.1]octan-3-yloxy-benzamide | CHEMB...)
Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)s1 |r,TLB:5:6:12.13.11:8.9|
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 expressed in HEK cells assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
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 expressed in HEK cells assessed as inhibition of SNC-80-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325853
PNG
(CHEMBL1223872 | cis-3-((1R,3R,5S)-8-(2-((4S)-4-(3,...)
Show SMILES CN(C)C(=O)N[C@@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:16.16,13.12,wD:9.9,18.21,6.5,TLB:11:12:18.19.17:14.15,(4,-10.81,;2.6,-11.44,;1.35,-10.54,;2.44,-12.97,;1.04,-13.61,;3.69,-13.87,;5.1,-13.24,;5.25,-11.71,;6.65,-11.08,;7.9,-11.98,;9.3,-11.34,;10.55,-12.23,;12.17,-11.3,;12.75,-13.23,;11.23,-12.95,;10.57,-11.46,;11.14,-10.17,;12.63,-9.77,;13.87,-10.69,;13.92,-12.22,;15.23,-9.98,;16.54,-10.8,;16.47,-12.35,;17.77,-13.17,;19.14,-12.45,;19.2,-10.91,;17.9,-10.09,;20.56,-10.19,;21.86,-11,;20.62,-8.65,;7.76,-13.51,;6.35,-14.14,)|
Show InChI InChI=1S/C25H38N4O3/c1-28(2)25(31)27-19-8-6-17(7-9-19)12-13-29-20-10-11-21(29)16-23(15-20)32-22-5-3-4-18(14-22)24(26)30/h3-5,14,17,19-21,23H,6-13,15-16H2,1-2H3,(H2,26,30)(H,27,31)/t17-,19+,20-,21+,23+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325849
PNG
(3-((1R,3r,5S)-8-(cyclohexylmethyl)-8-azabicyclo[3....)
Show SMILES NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1 |r,TLB:17:16:9.10.15:12.13|
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 expressed in HEK cells assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
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 expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325866
PNG
(CHEMBL1224139 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cc(F)cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:18:17:16.10.11:14.13|
Show InChI InChI=1S/C21H23FN2O2/c22-16-8-15(21(23)25)9-19(10-16)26-20-11-17-6-7-18(12-20)24(17)13-14-4-2-1-3-5-14/h1-5,8-10,17-18,20H,6-7,11-13H2,(H2,23,25)/t17-,18+,20+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325857
PNG
(CHEMBL1223953 | exo-3-(((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cccc(C[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C22H26N2O/c23-22(25)19-8-4-7-17(12-19)11-18-13-20-9-10-21(14-18)24(20)15-16-5-2-1-3-6-16/h1-8,12,18,20-21H,9-11,13-15H2,(H2,23,25)/t18-,20-,21+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325848
PNG
(8-azabicyclo[3.2.1]octan-3-yloxy-benzamide | CHEMB...)
Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)s1 |r,TLB:5:6:12.13.11:8.9|
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
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325854
PNG
(CHEMBL1223873 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
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 expressed in HEK cells assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325858
PNG
(CHEMBL1223954 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cccc(S[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C21H24N2OS/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 expressed in HEK cells assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325878
PNG
(CHEMBL1224213 | endo-2-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1ccccc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 |r,TLB:18:17:14.13:16.10.11|
Show InChI InChI=1S/C21H24N2O2/c22-21(24)19-8-4-5-9-20(19)25-18-12-16-10-11-17(13-18)23(16)14-15-6-2-1-3-7-15/h1-9,16-18H,10-14H2,(H2,22,24)/t16-,17+,18+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325877
PNG
(CHEMBL1224288 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES Oc1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:15:14:13.7.8:11.10|
Show InChI InChI=1S/C20H23NO2/c22-18-7-4-8-19(13-18)23-20-11-16-9-10-17(12-20)21(16)14-15-5-2-1-3-6-15/h1-8,13,16-17,20,22H,9-12,14H2/t16-,17+,20+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325871
PNG
(CHEMBL1224215 | endo-4-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES Cc1cc(ccc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)C(N)=O |r,TLB:16:15:14.8.9:12.11|
Show InChI InChI=1S/C22H26N2O2/c1-15-11-17(22(23)25)7-10-21(15)26-20-12-18-8-9-19(13-20)24(18)14-16-5-3-2-4-6-16/h2-7,10-11,18-20H,8-9,12-14H2,1H3,(H2,23,25)/t18-,19+,20+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325851
PNG
(CHEMBL1223870 | trans-3-((1R,3R,5S)-8-(2-((4R)-4-(...)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:16.16,13.12,6.5,wD:9.9,18.21,TLB:11:12:18.19.17:14.15,(-3.99,-5.38,;-5.4,-6.01,;-6.65,-5.11,;-5.55,-7.54,;-6.96,-8.18,;-4.3,-8.44,;-2.9,-7.81,;-2.74,-6.28,;-1.34,-5.65,;-.1,-6.55,;1.3,-5.91,;2.56,-6.8,;4.18,-5.87,;4.75,-7.8,;3.24,-7.52,;2.58,-6.03,;3.14,-4.74,;4.63,-4.34,;5.87,-5.26,;5.92,-6.79,;7.24,-4.55,;8.54,-5.37,;8.47,-6.92,;9.78,-7.74,;11.14,-7.03,;11.2,-5.48,;9.9,-4.66,;12.56,-4.76,;13.87,-5.58,;12.62,-3.22,;-.24,-8.08,;-1.65,-8.71,)|
Show InChI InChI=1S/C25H38N4O3/c1-28(2)25(31)27-19-8-6-17(7-9-19)12-13-29-20-10-11-21(29)16-23(15-20)32-22-5-3-4-18(14-22)24(26)30/h3-5,14,17,19-21,23H,6-13,15-16H2,1-2H3,(H2,26,30)(H,27,31)/t17-,19-,20-,21+,23+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325871
PNG
(CHEMBL1224215 | endo-4-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES Cc1cc(ccc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)C(N)=O |r,TLB:16:15:14.8.9:12.11|
Show InChI InChI=1S/C22H26N2O2/c1-15-11-17(22(23)25)7-10-21(15)26-20-12-18-8-9-19(13-20)24(18)14-16-5-3-2-4-6-16/h2-7,10-11,18-20H,8-9,12-14H2,1H3,(H2,23,25)/t18-,19+,20+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325856
PNG
(CHEMBL1223952 | endo-3-(((1R,5S)-8-benzyl-8-azabic...)
Show SMILES NC(=O)c1cccc(C[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C22H26N2O/c23-22(25)19-8-4-7-17(12-19)11-18-13-20-9-10-21(14-18)24(20)15-16-5-2-1-3-6-16/h1-8,12,18,20-21H,9-11,13-15H2,(H2,23,25)/t18-,20+,21-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325854
PNG
(CHEMBL1223873 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
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
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325867
PNG
(CHEMBL1224140 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES Cc1cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc(c1)C(N)=O |r,TLB:13:12:11.5.6:9.8|
Show InChI InChI=1S/C22H26N2O2/c1-15-9-17(22(23)25)11-20(10-15)26-21-12-18-7-8-19(13-21)24(18)14-16-5-3-2-4-6-16/h2-6,9-11,18-19,21H,7-8,12-14H2,1H3,(H2,23,25)/t18-,19+,21+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325870
PNG
(CHEMBL1224214 | endo-4-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 |r,TLB:16:15:14.8.9:12.11|
Show InChI InChI=1S/C21H24N2O2/c22-21(24)16-6-10-19(11-7-16)25-20-12-17-8-9-18(13-20)23(17)14-15-4-2-1-3-5-15/h1-7,10-11,17-18,20H,8-9,12-14H2,(H2,22,24)/t17-,18+,20+
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n/an/a 680n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325866
PNG
(CHEMBL1224139 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cc(F)cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:18:17:16.10.11:14.13|
Show InChI InChI=1S/C21H23FN2O2/c22-16-8-15(21(23)25)9-19(10-16)26-20-11-17-6-7-18(12-20)24(17)13-14-4-2-1-3-5-14/h1-5,8-10,17-18,20H,6-7,11-13H2,(H2,23,25)/t17-,18+,20+
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n/an/a 680n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325848
PNG
(8-azabicyclo[3.2.1]octan-3-yloxy-benzamide | CHEMB...)
Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)s1 |r,TLB:5:6:12.13.11:8.9|
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 721n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325861
PNG
(CHEMBL1224066 | endo-2-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1ccnc(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/C20H23N3O2/c21-20(24)15-8-9-22-19(10-15)25-18-11-16-6-7-17(12-18)23(16)13-14-4-2-1-3-5-14/h1-5,8-10,16-18H,6-7,11-13H2,(H2,21,24)/t16-,17+,18+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325864
PNG
(CHEMBL1224069 | endo-6-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)18-7-4-8-19(22-18)25-17-11-15-9-10-16(12-17)23(15)13-14-5-2-1-3-6-14/h1-8,15-17H,9-13H2,(H2,21,24)/t15-,16+,17+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325871
PNG
(CHEMBL1224215 | endo-4-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES Cc1cc(ccc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)C(N)=O |r,TLB:16:15:14.8.9:12.11|
Show InChI InChI=1S/C22H26N2O2/c1-15-11-17(22(23)25)7-10-21(15)26-20-12-18-8-9-19(13-20)24(18)14-16-5-3-2-4-6-16/h2-7,10-11,18-20H,8-9,12-14H2,1H3,(H2,23,25)/t18-,19+,20+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325858
PNG
(CHEMBL1223954 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cccc(S[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C21H24N2OS/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
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325869
PNG
(CHEMBL1224142 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES Cc1c(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cccc1C(N)=O |r,TLB:12:11:10.4.5:8.7|
Show InChI InChI=1S/C22H26N2O2/c1-15-20(22(23)25)8-5-9-21(15)26-19-12-17-10-11-18(13-19)24(17)14-16-6-3-2-4-7-16/h2-9,17-19H,10-14H2,1H3,(H2,23,25)/t17-,18+,19+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325860
PNG
(CHEMBL1224065 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cccc(N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C21H25N3O/c22-21(25)16-7-4-8-17(11-16)23-18-12-19-9-10-20(13-18)24(19)14-15-5-2-1-3-6-15/h1-8,11,18-20,23H,9-10,12-14H2,(H2,22,25)/t18-,19+,20-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325873
PNG
(CHEMBL1224217 | endo-6-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)nc1 |r,TLB:16:15:14.8.9:12.11|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)15-6-9-19(22-12-15)25-18-10-16-7-8-17(11-18)23(16)13-14-4-2-1-3-5-14/h1-6,9,12,16-18H,7-8,10-11,13H2,(H2,21,24)/t16-,17+,18+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325850
PNG
(CHEMBL1223817 | trans-3-((1R,3R,5S)-8-(((4R)-4-(3,...)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:15.15,12.11,6.5,wD:9.9,17.20,TLB:10:11:17.18.16:13.14,(2.63,-3.14,;1.38,-2.24,;1.53,-.7,;-.03,-2.87,;-1.28,-1.97,;-.18,-4.4,;1.07,-5.3,;2.47,-4.67,;3.72,-5.56,;3.57,-7.09,;4.82,-7.98,;6.44,-7.05,;7.01,-8.98,;5.5,-8.7,;4.84,-7.22,;5.4,-5.92,;6.89,-5.52,;8.14,-6.45,;8.18,-7.97,;9.5,-5.73,;10.8,-6.55,;10.74,-8.1,;12.04,-8.92,;13.4,-8.21,;13.46,-6.66,;12.16,-5.84,;14.82,-5.94,;16.13,-6.76,;14.88,-4.4,;2.17,-7.74,;.91,-6.83,)|
Show InChI InChI=1S/C24H36N4O3/c1-27(2)24(30)26-18-8-6-16(7-9-18)15-28-19-10-11-20(28)14-22(13-19)31-21-5-3-4-17(12-21)23(25)29/h3-5,12,16,18-20,22H,6-11,13-15H2,1-2H3,(H2,25,29)(H,26,30)/t16-,18-,19-,20+,22+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325872
PNG
(CHEMBL1224216 | endo-4-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(F)c1 |r,TLB:16:15:14.8.9:12.11|
Show InChI InChI=1S/C21H23FN2O2/c22-19-10-15(21(23)25)6-9-20(19)26-18-11-16-7-8-17(12-18)24(16)13-14-4-2-1-3-5-14/h1-6,9-10,16-18H,7-8,11-13H2,(H2,23,25)/t16-,17+,18+
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n/an/a 1.40E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325860
PNG
(CHEMBL1224065 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cccc(N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C21H25N3O/c22-21(25)16-7-4-8-17(11-16)23-18-12-19-9-10-20(13-18)24(19)14-15-5-2-1-3-6-15/h1-8,11,18-20,23H,9-10,12-14H2,(H2,22,25)/t18-,19+,20-
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n/an/a 1.49E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325856
PNG
(CHEMBL1223952 | endo-3-(((1R,5S)-8-benzyl-8-azabic...)
Show SMILES NC(=O)c1cccc(C[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C22H26N2O/c23-22(25)19-8-4-7-17(12-19)11-18-13-20-9-10-21(14-18)24(20)15-16-5-2-1-3-6-16/h1-8,12,18,20-21H,9-11,13-15H2,(H2,23,25)/t18-,20+,21-
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n/an/a 1.50E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325863
PNG
(CHEMBL1224068 | endo-5-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cncc(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/C20H23N3O2/c21-20(24)15-8-19(12-22-11-15)25-18-9-16-6-7-17(10-18)23(16)13-14-4-2-1-3-5-14/h1-5,8,11-12,16-18H,6-7,9-10,13H2,(H2,21,24)/t16-,17+,18+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325877
PNG
(CHEMBL1224288 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES Oc1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:15:14:13.7.8:11.10|
Show InChI InChI=1S/C20H23NO2/c22-18-7-4-8-19(13-18)23-20-11-16-9-10-17(12-20)21(16)14-15-5-2-1-3-6-15/h1-8,13,16-17,20,22H,9-12,14H2/t16-,17+,20+
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n/an/a 1.60E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325862
PNG
(CHEMBL1224067 | endo-4-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)ccn1 |r,TLB:15:14:13.7.8:11.10|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)19-12-17(8-9-22-19)25-18-10-15-6-7-16(11-18)23(15)13-14-4-2-1-3-5-14/h1-5,8-9,12,15-16,18H,6-7,10-11,13H2,(H2,21,24)/t15-,16+,18+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325867
PNG
(CHEMBL1224140 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES Cc1cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc(c1)C(N)=O |r,TLB:13:12:11.5.6:9.8|
Show InChI InChI=1S/C22H26N2O2/c1-15-9-17(22(23)25)11-20(10-15)26-21-12-18-7-8-19(13-21)24(18)14-16-5-3-2-4-6-16/h2-6,9-11,18-19,21H,7-8,12-14H2,1H3,(H2,23,25)/t18-,19+,21+
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n/an/a 1.73E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325849
PNG
(3-((1R,3r,5S)-8-(cyclohexylmethyl)-8-azabicyclo[3....)
Show SMILES NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1 |r,TLB:17:16:9.10.15:12.13|
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 expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325849
PNG
(3-((1R,3r,5S)-8-(cyclohexylmethyl)-8-azabicyclo[3....)
Show SMILES NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1 |r,TLB:17:16:9.10.15:12.13|
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 by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325857
PNG
(CHEMBL1223953 | exo-3-(((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cccc(C[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C22H26N2O/c23-22(25)19-8-4-7-17(12-19)11-18-13-20-9-10-21(14-18)24(20)15-16-5-2-1-3-6-16/h1-8,12,18,20-21H,9-11,13-15H2,(H2,23,25)/t18-,20-,21+
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n/an/a 2.14E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325872
PNG
(CHEMBL1224216 | endo-4-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(F)c1 |r,TLB:16:15:14.8.9:12.11|
Show InChI InChI=1S/C21H23FN2O2/c22-19-10-15(21(23)25)6-9-20(19)26-18-11-16-7-8-17(12-18)24(16)13-14-4-2-1-3-5-14/h1-6,9-10,16-18H,7-8,11-13H2,(H2,23,25)/t16-,17+,18+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
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 3.00E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325858
PNG
(CHEMBL1223954 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cccc(S[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C21H24N2OS/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 mu opioid receptor expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325868
PNG
(CHEMBL1224141 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES Cc1ccc(cc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)C(N)=O |r,TLB:16:15:14.8.9:12.11|
Show InChI InChI=1S/C22H26N2O2/c1-15-7-8-17(22(23)25)11-21(15)26-20-12-18-9-10-19(13-20)24(18)14-16-5-3-2-4-6-16/h2-8,11,18-20H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,20+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325856
PNG
(CHEMBL1223952 | endo-3-(((1R,5S)-8-benzyl-8-azabic...)
Show SMILES NC(=O)c1cccc(C[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C22H26N2O/c23-22(25)19-8-4-7-17(12-19)11-18-13-20-9-10-21(14-18)24(20)15-16-5-2-1-3-6-16/h1-8,12,18,20-21H,9-11,13-15H2,(H2,23,25)/t18-,20+,21-
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n/an/a 3.94E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325869
PNG
(CHEMBL1224142 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES Cc1c(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cccc1C(N)=O |r,TLB:12:11:10.4.5:8.7|
Show InChI InChI=1S/C22H26N2O2/c1-15-20(22(23)25)8-5-9-21(15)26-19-12-17-10-11-18(13-19)24(17)14-16-6-3-2-4-7-16/h2-9,17-19H,10-14H2,1H3,(H2,23,25)/t17-,18+,19+
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n/an/a 4.18E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325852
PNG
(CHEMBL1223871 | cis-3-((1R,3R,5S)-8-(((4S)-4-(3,3-...)
Show SMILES CN(C)C(=O)N[C@@H]1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:15.15,12.11,wD:9.9,17.20,6.5,TLB:10:11:17.18.16:13.14,(6.65,-9.2,;5.4,-8.3,;5.56,-6.77,;4,-8.94,;2.75,-8.04,;3.85,-10.47,;5.1,-11.37,;6.5,-10.74,;7.75,-11.63,;7.6,-13.16,;8.85,-14.05,;10.47,-13.12,;11.04,-15.05,;9.53,-14.77,;8.87,-13.28,;9.43,-11.99,;10.92,-11.59,;12.17,-12.51,;12.21,-14.04,;13.53,-11.8,;14.83,-12.62,;14.76,-14.17,;16.07,-14.99,;17.43,-14.27,;17.49,-12.73,;16.19,-11.91,;18.85,-12.01,;20.16,-12.83,;18.91,-10.47,;6.2,-13.8,;4.94,-12.9,)|
Show InChI InChI=1S/C24H36N4O3/c1-27(2)24(30)26-18-8-6-16(7-9-18)15-28-19-10-11-20(28)14-22(13-19)31-21-5-3-4-17(12-21)23(25)29/h3-5,12,16,18-20,22H,6-11,13-15H2,1-2H3,(H2,25,29)(H,26,30)/t16-,18+,19-,20+,22+
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n/an/a 4.20E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325866
PNG
(CHEMBL1224139 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cc(F)cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:18:17:16.10.11:14.13|
Show InChI InChI=1S/C21H23FN2O2/c22-16-8-15(21(23)25)9-19(10-16)26-20-11-17-6-7-18(12-20)24(17)13-14-4-2-1-3-5-14/h1-5,8-10,17-18,20H,6-7,11-13H2,(H2,23,25)/t17-,18+,20+
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n/an/a 8.08E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325872
PNG
(CHEMBL1224216 | endo-4-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(F)c1 |r,TLB:16:15:14.8.9:12.11|
Show InChI InChI=1S/C21H23FN2O2/c22-19-10-15(21(23)25)6-9-20(19)26-18-11-16-7-8-17(12-18)24(16)13-14-4-2-1-3-5-14/h1-6,9-10,16-18H,7-8,11-13H2,(H2,23,25)/t16-,17+,18+
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n/an/a 8.19E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325859
PNG
(CHEMBL1223955 | endo-3-((R)-((1R,5S)-8-benzyl-8-az...)
Show SMILES NC(=O)c1cccc(c1)S(=O)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 |r,TLB:19:18:17.11.12:15.14|
Show InChI InChI=1S/C21H24N2O2S/c22-21(24)16-7-4-8-19(11-16)26(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+,26?
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n/an/a 8.24E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50325848
PNG
(8-azabicyclo[3.2.1]octan-3-yloxy-benzamide | CHEMB...)
Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)s1 |r,TLB:5:6:12.13.11:8.9|
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 expressed in HEK cells assessed as inhibition of SNC-80-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325861
PNG
(CHEMBL1224066 | endo-2-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1ccnc(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/C20H23N3O2/c21-20(24)15-8-9-22-19(10-15)25-18-11-16-6-7-17(12-18)23(16)13-14-4-2-1-3-5-14/h1-5,8-10,16-18H,6-7,11-13H2,(H2,21,24)/t16-,17+,18+
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n/an/a 8.62E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
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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n/an/a 9.68E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325854
PNG
(CHEMBL1223873 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
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 expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325870
PNG
(CHEMBL1224214 | endo-4-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 |r,TLB:16:15:14.8.9:12.11|
Show InChI InChI=1S/C21H24N2O2/c22-21(24)16-6-10-19(11-7-16)25-20-12-17-8-9-18(13-20)23(17)14-15-4-2-1-3-5-15/h1-7,10-11,17-18,20H,8-9,12-14H2,(H2,22,24)/t17-,18+,20+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325857
PNG
(CHEMBL1223953 | exo-3-(((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cccc(C[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C22H26N2O/c23-22(25)19-8-4-7-17(12-19)11-18-13-20-9-10-21(14-18)24(20)15-16-5-2-1-3-6-16/h1-8,12,18,20-21H,9-11,13-15H2,(H2,23,25)/t18-,20-,21+
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n/an/a 1.19E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325862
PNG
(CHEMBL1224067 | endo-4-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)ccn1 |r,TLB:15:14:13.7.8:11.10|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)19-12-17(8-9-22-19)25-18-10-15-6-7-16(11-18)23(15)13-14-4-2-1-3-5-14/h1-5,8-9,12,15-16,18H,6-7,10-11,13H2,(H2,21,24)/t15-,16+,18+
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n/an/a 1.42E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50325860
PNG
(CHEMBL1224065 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cccc(N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C21H25N3O/c22-21(25)16-7-4-8-17(11-16)23-18-12-19-9-10-20(13-18)24(19)14-15-5-2-1-3-6-15/h1-8,11,18-20,23H,9-10,12-14H2,(H2,22,25)/t18-,19+,20-
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n/an/a 1.47E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in HEK cells assessed as inhibition of SNC-80-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325865
PNG
(CHEMBL1224138 | endo-6-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cncc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C19H22N4O2/c20-19(24)17-10-21-11-18(22-17)25-16-8-14-6-7-15(9-16)23(14)12-13-4-2-1-3-5-13/h1-5,10-11,14-16H,6-9,12H2,(H2,20,24)/t14-,15+,16+
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n/an/a 1.50E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325853
PNG
(CHEMBL1223872 | cis-3-((1R,3R,5S)-8-(2-((4S)-4-(3,...)
Show SMILES CN(C)C(=O)N[C@@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:16.16,13.12,wD:9.9,18.21,6.5,TLB:11:12:18.19.17:14.15,(4,-10.81,;2.6,-11.44,;1.35,-10.54,;2.44,-12.97,;1.04,-13.61,;3.69,-13.87,;5.1,-13.24,;5.25,-11.71,;6.65,-11.08,;7.9,-11.98,;9.3,-11.34,;10.55,-12.23,;12.17,-11.3,;12.75,-13.23,;11.23,-12.95,;10.57,-11.46,;11.14,-10.17,;12.63,-9.77,;13.87,-10.69,;13.92,-12.22,;15.23,-9.98,;16.54,-10.8,;16.47,-12.35,;17.77,-13.17,;19.14,-12.45,;19.2,-10.91,;17.9,-10.09,;20.56,-10.19,;21.86,-11,;20.62,-8.65,;7.76,-13.51,;6.35,-14.14,)|
Show InChI InChI=1S/C25H38N4O3/c1-28(2)25(31)27-19-8-6-17(7-9-19)12-13-29-20-10-11-21(29)16-23(15-20)32-22-5-3-4-18(14-22)24(26)30/h3-5,14,17,19-21,23H,6-13,15-16H2,1-2H3,(H2,26,30)(H,27,31)/t17-,19+,20-,21+,23+
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n/an/a 1.63E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325867
PNG
(CHEMBL1224140 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES Cc1cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc(c1)C(N)=O |r,TLB:13:12:11.5.6:9.8|
Show InChI InChI=1S/C22H26N2O2/c1-15-9-17(22(23)25)11-20(10-15)26-21-12-18-7-8-19(13-21)24(18)14-16-5-3-2-4-6-16/h2-6,9-11,18-19,21H,7-8,12-14H2,1H3,(H2,23,25)/t18-,19+,21+
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n/an/a 1.70E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325860
PNG
(CHEMBL1224065 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cccc(N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C21H25N3O/c22-21(25)16-7-4-8-17(11-16)23-18-12-19-9-10-20(13-18)24(19)14-15-5-2-1-3-6-15/h1-8,11,18-20,23H,9-10,12-14H2,(H2,22,25)/t18-,19+,20-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325863
PNG
(CHEMBL1224068 | endo-5-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cncc(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/C20H23N3O2/c21-20(24)15-8-19(12-22-11-15)25-18-9-16-6-7-17(10-18)23(16)13-14-4-2-1-3-5-14/h1-5,8,11-12,16-18H,6-7,9-10,13H2,(H2,21,24)/t16-,17+,18+
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n/an/a 1.78E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325852
PNG
(CHEMBL1223871 | cis-3-((1R,3R,5S)-8-(((4S)-4-(3,3-...)
Show SMILES CN(C)C(=O)N[C@@H]1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:15.15,12.11,wD:9.9,17.20,6.5,TLB:10:11:17.18.16:13.14,(6.65,-9.2,;5.4,-8.3,;5.56,-6.77,;4,-8.94,;2.75,-8.04,;3.85,-10.47,;5.1,-11.37,;6.5,-10.74,;7.75,-11.63,;7.6,-13.16,;8.85,-14.05,;10.47,-13.12,;11.04,-15.05,;9.53,-14.77,;8.87,-13.28,;9.43,-11.99,;10.92,-11.59,;12.17,-12.51,;12.21,-14.04,;13.53,-11.8,;14.83,-12.62,;14.76,-14.17,;16.07,-14.99,;17.43,-14.27,;17.49,-12.73,;16.19,-11.91,;18.85,-12.01,;20.16,-12.83,;18.91,-10.47,;6.2,-13.8,;4.94,-12.9,)|
Show InChI InChI=1S/C24H36N4O3/c1-27(2)24(30)26-18-8-6-16(7-9-18)15-28-19-10-11-20(28)14-22(13-19)31-21-5-3-4-17(12-21)23(25)29/h3-5,12,16,18-20,22H,6-11,13-15H2,1-2H3,(H2,25,29)(H,26,30)/t16-,18+,19-,20+,22+
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n/an/a 1.85E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325851
PNG
(CHEMBL1223870 | trans-3-((1R,3R,5S)-8-(2-((4R)-4-(...)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:16.16,13.12,6.5,wD:9.9,18.21,TLB:11:12:18.19.17:14.15,(-3.99,-5.38,;-5.4,-6.01,;-6.65,-5.11,;-5.55,-7.54,;-6.96,-8.18,;-4.3,-8.44,;-2.9,-7.81,;-2.74,-6.28,;-1.34,-5.65,;-.1,-6.55,;1.3,-5.91,;2.56,-6.8,;4.18,-5.87,;4.75,-7.8,;3.24,-7.52,;2.58,-6.03,;3.14,-4.74,;4.63,-4.34,;5.87,-5.26,;5.92,-6.79,;7.24,-4.55,;8.54,-5.37,;8.47,-6.92,;9.78,-7.74,;11.14,-7.03,;11.2,-5.48,;9.9,-4.66,;12.56,-4.76,;13.87,-5.58,;12.62,-3.22,;-.24,-8.08,;-1.65,-8.71,)|
Show InChI InChI=1S/C25H38N4O3/c1-28(2)25(31)27-19-8-6-17(7-9-19)12-13-29-20-10-11-21(29)16-23(15-20)32-22-5-3-4-18(14-22)24(26)30/h3-5,14,17,19-21,23H,6-13,15-16H2,1-2H3,(H2,26,30)(H,27,31)/t17-,19-,20-,21+,23+
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n/an/a 1.89E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325873
PNG
(CHEMBL1224217 | endo-6-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)nc1 |r,TLB:16:15:14.8.9:12.11|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)15-6-9-19(22-12-15)25-18-10-16-7-8-17(11-18)23(16)13-14-4-2-1-3-5-14/h1-6,9,12,16-18H,7-8,10-11,13H2,(H2,21,24)/t16-,17+,18+
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n/an/a 1.93E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325859
PNG
(CHEMBL1223955 | endo-3-((R)-((1R,5S)-8-benzyl-8-az...)
Show SMILES NC(=O)c1cccc(c1)S(=O)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 |r,TLB:19:18:17.11.12:15.14|
Show InChI InChI=1S/C21H24N2O2S/c22-21(24)16-7-4-8-19(11-16)26(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+,26?
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325877
PNG
(CHEMBL1224288 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES Oc1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:15:14:13.7.8:11.10|
Show InChI InChI=1S/C20H23NO2/c22-18-7-4-8-19(13-18)23-20-11-16-9-10-17(12-20)21(16)14-15-5-2-1-3-6-15/h1-8,13,16-17,20,22H,9-12,14H2/t16-,17+,20+
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n/an/a 2.22E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325868
PNG
(CHEMBL1224141 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES Cc1ccc(cc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)C(N)=O |r,TLB:16:15:14.8.9:12.11|
Show InChI InChI=1S/C22H26N2O2/c1-15-7-8-17(22(23)25)11-21(15)26-20-12-18-9-10-19(13-20)24(18)14-16-5-3-2-4-6-16/h2-8,11,18-20H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,20+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50325857
PNG
(CHEMBL1223953 | exo-3-(((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cccc(C[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C22H26N2O/c23-22(25)19-8-4-7-17(12-19)11-18-13-20-9-10-21(14-18)24(20)15-16-5-2-1-3-6-16/h1-8,12,18,20-21H,9-11,13-15H2,(H2,23,25)/t18-,20-,21+
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n/an/a 2.43E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in HEK cells assessed as inhibition of SNC-80-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325869
PNG
(CHEMBL1224142 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES Cc1c(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cccc1C(N)=O |r,TLB:12:11:10.4.5:8.7|
Show InChI InChI=1S/C22H26N2O2/c1-15-20(22(23)25)8-5-9-21(15)26-19-12-17-10-11-18(13-19)24(17)14-16-6-3-2-4-7-16/h2-9,17-19H,10-14H2,1H3,(H2,23,25)/t17-,18+,19+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50325854
PNG
(CHEMBL1223873 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
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 2.74E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in HEK cells assessed as inhibition of SNC-80-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50325858
PNG
(CHEMBL1223954 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cccc(S[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C21H24N2OS/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 expressed in HEK cells assessed as inhibition of SNC-80-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50325856
PNG
(CHEMBL1223952 | endo-3-(((1R,5S)-8-benzyl-8-azabic...)
Show SMILES NC(=O)c1cccc(C[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C22H26N2O/c23-22(25)19-8-4-7-17(12-19)11-18-13-20-9-10-21(14-18)24(20)15-16-5-2-1-3-6-16/h1-8,12,18,20-21H,9-11,13-15H2,(H2,23,25)/t18-,20+,21-
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in HEK cells assessed as inhibition of SNC-80-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
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 expressed in HEK cells assessed as inhibition of SNC-80-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50325853
PNG
(CHEMBL1223872 | cis-3-((1R,3R,5S)-8-(2-((4S)-4-(3,...)
Show SMILES CN(C)C(=O)N[C@@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:16.16,13.12,wD:9.9,18.21,6.5,TLB:11:12:18.19.17:14.15,(4,-10.81,;2.6,-11.44,;1.35,-10.54,;2.44,-12.97,;1.04,-13.61,;3.69,-13.87,;5.1,-13.24,;5.25,-11.71,;6.65,-11.08,;7.9,-11.98,;9.3,-11.34,;10.55,-12.23,;12.17,-11.3,;12.75,-13.23,;11.23,-12.95,;10.57,-11.46,;11.14,-10.17,;12.63,-9.77,;13.87,-10.69,;13.92,-12.22,;15.23,-9.98,;16.54,-10.8,;16.47,-12.35,;17.77,-13.17,;19.14,-12.45,;19.2,-10.91,;17.9,-10.09,;20.56,-10.19,;21.86,-11,;20.62,-8.65,;7.76,-13.51,;6.35,-14.14,)|
Show InChI InChI=1S/C25H38N4O3/c1-28(2)25(31)27-19-8-6-17(7-9-19)12-13-29-20-10-11-21(29)16-23(15-20)32-22-5-3-4-18(14-22)24(26)30/h3-5,14,17,19-21,23H,6-13,15-16H2,1-2H3,(H2,26,30)(H,27,31)/t17-,19+,20-,21+,23+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in HEK cells assessed as inhibition of SNC-80-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50325852
PNG
(CHEMBL1223871 | cis-3-((1R,3R,5S)-8-(((4S)-4-(3,3-...)
Show SMILES CN(C)C(=O)N[C@@H]1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:15.15,12.11,wD:9.9,17.20,6.5,TLB:10:11:17.18.16:13.14,(6.65,-9.2,;5.4,-8.3,;5.56,-6.77,;4,-8.94,;2.75,-8.04,;3.85,-10.47,;5.1,-11.37,;6.5,-10.74,;7.75,-11.63,;7.6,-13.16,;8.85,-14.05,;10.47,-13.12,;11.04,-15.05,;9.53,-14.77,;8.87,-13.28,;9.43,-11.99,;10.92,-11.59,;12.17,-12.51,;12.21,-14.04,;13.53,-11.8,;14.83,-12.62,;14.76,-14.17,;16.07,-14.99,;17.43,-14.27,;17.49,-12.73,;16.19,-11.91,;18.85,-12.01,;20.16,-12.83,;18.91,-10.47,;6.2,-13.8,;4.94,-12.9,)|
Show InChI InChI=1S/C24H36N4O3/c1-27(2)24(30)26-18-8-6-16(7-9-18)15-28-19-10-11-20(28)14-22(13-19)31-21-5-3-4-17(12-21)23(25)29/h3-5,12,16,18-20,22H,6-11,13-15H2,1-2H3,(H2,25,29)(H,26,30)/t16-,18+,19-,20+,22+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in HEK cells assessed as inhibition of SNC-80-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325874
PNG
(CHEMBL1224285 | endo-5-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cn1 |r,TLB:16:15:14.8.9:12.11|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)19-9-8-17(12-22-19)25-18-10-15-6-7-16(11-18)23(15)13-14-4-2-1-3-5-14/h1-5,8-9,12,15-16,18H,6-7,10-11,13H2,(H2,21,24)/t15-,16+,18+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325876
PNG
(CHEMBL1224287 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES CN(C)C(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:19:18:17.11.12:15.14|
Show InChI InChI=1S/C23H28N2O2/c1-24(2)23(26)18-9-6-10-21(13-18)27-22-14-19-11-12-20(15-22)25(19)16-17-7-4-3-5-8-17/h3-10,13,19-20,22H,11-12,14-16H2,1-2H3/t19-,20+,22+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50325851
PNG
(CHEMBL1223870 | trans-3-((1R,3R,5S)-8-(2-((4R)-4-(...)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:16.16,13.12,6.5,wD:9.9,18.21,TLB:11:12:18.19.17:14.15,(-3.99,-5.38,;-5.4,-6.01,;-6.65,-5.11,;-5.55,-7.54,;-6.96,-8.18,;-4.3,-8.44,;-2.9,-7.81,;-2.74,-6.28,;-1.34,-5.65,;-.1,-6.55,;1.3,-5.91,;2.56,-6.8,;4.18,-5.87,;4.75,-7.8,;3.24,-7.52,;2.58,-6.03,;3.14,-4.74,;4.63,-4.34,;5.87,-5.26,;5.92,-6.79,;7.24,-4.55,;8.54,-5.37,;8.47,-6.92,;9.78,-7.74,;11.14,-7.03,;11.2,-5.48,;9.9,-4.66,;12.56,-4.76,;13.87,-5.58,;12.62,-3.22,;-.24,-8.08,;-1.65,-8.71,)|
Show InChI InChI=1S/C25H38N4O3/c1-28(2)25(31)27-19-8-6-17(7-9-19)12-13-29-20-10-11-21(29)16-23(15-20)32-22-5-3-4-18(14-22)24(26)30/h3-5,14,17,19-21,23H,6-13,15-16H2,1-2H3,(H2,26,30)(H,27,31)/t17-,19-,20-,21+,23+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in HEK cells assessed as inhibition of SNC-80-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50325859
PNG
(CHEMBL1223955 | endo-3-((R)-((1R,5S)-8-benzyl-8-az...)
Show SMILES NC(=O)c1cccc(c1)S(=O)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 |r,TLB:19:18:17.11.12:15.14|
Show InChI InChI=1S/C21H24N2O2S/c22-21(24)16-7-4-8-19(11-16)26(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+,26?
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in HEK cells assessed as inhibition of SNC-80-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50325849
PNG
(3-((1R,3r,5S)-8-(cyclohexylmethyl)-8-azabicyclo[3....)
Show SMILES NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1 |r,TLB:17:16:9.10.15:12.13|
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 expressed in HEK cells assessed as inhibition of SNC-80-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325878
PNG
(CHEMBL1224213 | endo-2-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1ccccc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 |r,TLB:18:17:14.13:16.10.11|
Show InChI InChI=1S/C21H24N2O2/c22-21(24)19-8-4-5-9-20(19)25-18-12-16-10-11-17(13-18)23(16)14-15-6-2-1-3-7-15/h1-9,16-18H,10-14H2,(H2,22,24)/t16-,17+,18+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325865
PNG
(CHEMBL1224138 | endo-6-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cncc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C19H22N4O2/c20-19(24)17-10-21-11-18(22-17)25-16-8-14-6-7-15(9-16)23(14)12-13-4-2-1-3-5-13/h1-5,10-11,14-16H,6-9,12H2,(H2,20,24)/t14-,15+,16+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325875
PNG
(CHEMBL1224286 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES CNC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:18:17:16.10.11:14.13|
Show InChI InChI=1S/C22H26N2O2/c1-23-22(25)17-8-5-9-20(12-17)26-21-13-18-10-11-19(14-21)24(18)15-16-6-3-2-4-7-16/h2-9,12,18-19,21H,10-11,13-15H2,1H3,(H,23,25)/t18-,19+,21+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325864
PNG
(CHEMBL1224069 | endo-6-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)18-7-4-8-19(22-18)25-17-11-15-9-10-16(12-17)23(15)13-14-5-2-1-3-6-14/h1-8,15-17H,9-13H2,(H2,21,24)/t15-,16+,17+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325850
PNG
(CHEMBL1223817 | trans-3-((1R,3R,5S)-8-(((4R)-4-(3,...)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:15.15,12.11,6.5,wD:9.9,17.20,TLB:10:11:17.18.16:13.14,(2.63,-3.14,;1.38,-2.24,;1.53,-.7,;-.03,-2.87,;-1.28,-1.97,;-.18,-4.4,;1.07,-5.3,;2.47,-4.67,;3.72,-5.56,;3.57,-7.09,;4.82,-7.98,;6.44,-7.05,;7.01,-8.98,;5.5,-8.7,;4.84,-7.22,;5.4,-5.92,;6.89,-5.52,;8.14,-6.45,;8.18,-7.97,;9.5,-5.73,;10.8,-6.55,;10.74,-8.1,;12.04,-8.92,;13.4,-8.21,;13.46,-6.66,;12.16,-5.84,;14.82,-5.94,;16.13,-6.76,;14.88,-4.4,;2.17,-7.74,;.91,-6.83,)|
Show InChI InChI=1S/C24H36N4O3/c1-27(2)24(30)26-18-8-6-16(7-9-18)15-28-19-10-11-20(28)14-22(13-19)31-21-5-3-4-17(12-21)23(25)29/h3-5,12,16,18-20,22H,6-11,13-15H2,1-2H3,(H2,25,29)(H,26,30)/t16-,18-,19-,20+,22+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50325850
PNG
(CHEMBL1223817 | trans-3-((1R,3R,5S)-8-(((4R)-4-(3,...)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:15.15,12.11,6.5,wD:9.9,17.20,TLB:10:11:17.18.16:13.14,(2.63,-3.14,;1.38,-2.24,;1.53,-.7,;-.03,-2.87,;-1.28,-1.97,;-.18,-4.4,;1.07,-5.3,;2.47,-4.67,;3.72,-5.56,;3.57,-7.09,;4.82,-7.98,;6.44,-7.05,;7.01,-8.98,;5.5,-8.7,;4.84,-7.22,;5.4,-5.92,;6.89,-5.52,;8.14,-6.45,;8.18,-7.97,;9.5,-5.73,;10.8,-6.55,;10.74,-8.1,;12.04,-8.92,;13.4,-8.21,;13.46,-6.66,;12.16,-5.84,;14.82,-5.94,;16.13,-6.76,;14.88,-4.4,;2.17,-7.74,;.91,-6.83,)|
Show InChI InChI=1S/C24H36N4O3/c1-27(2)24(30)26-18-8-6-16(7-9-18)15-28-19-10-11-20(28)14-22(13-19)31-21-5-3-4-17(12-21)23(25)29/h3-5,12,16,18-20,22H,6-11,13-15H2,1-2H3,(H2,25,29)(H,26,30)/t16-,18-,19-,20+,22+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in HEK cells assessed as inhibition of SNC-80-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50325861
PNG
(CHEMBL1224066 | endo-2-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1ccnc(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/C20H23N3O2/c21-20(24)15-8-9-22-19(10-15)25-18-11-16-6-7-17(12-18)23(16)13-14-4-2-1-3-5-14/h1-5,8-10,16-18H,6-7,11-13H2,(H2,21,24)/t16-,17+,18+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325852
PNG
(CHEMBL1223871 | cis-3-((1R,3R,5S)-8-(((4S)-4-(3,3-...)
Show SMILES CN(C)C(=O)N[C@@H]1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:15.15,12.11,wD:9.9,17.20,6.5,TLB:10:11:17.18.16:13.14,(6.65,-9.2,;5.4,-8.3,;5.56,-6.77,;4,-8.94,;2.75,-8.04,;3.85,-10.47,;5.1,-11.37,;6.5,-10.74,;7.75,-11.63,;7.6,-13.16,;8.85,-14.05,;10.47,-13.12,;11.04,-15.05,;9.53,-14.77,;8.87,-13.28,;9.43,-11.99,;10.92,-11.59,;12.17,-12.51,;12.21,-14.04,;13.53,-11.8,;14.83,-12.62,;14.76,-14.17,;16.07,-14.99,;17.43,-14.27,;17.49,-12.73,;16.19,-11.91,;18.85,-12.01,;20.16,-12.83,;18.91,-10.47,;6.2,-13.8,;4.94,-12.9,)|
Show InChI InChI=1S/C24H36N4O3/c1-27(2)24(30)26-18-8-6-16(7-9-18)15-28-19-10-11-20(28)14-22(13-19)31-21-5-3-4-17(12-21)23(25)29/h3-5,12,16,18-20,22H,6-11,13-15H2,1-2H3,(H2,25,29)(H,26,30)/t16-,18+,19-,20+,22+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325851
PNG
(CHEMBL1223870 | trans-3-((1R,3R,5S)-8-(2-((4R)-4-(...)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:16.16,13.12,6.5,wD:9.9,18.21,TLB:11:12:18.19.17:14.15,(-3.99,-5.38,;-5.4,-6.01,;-6.65,-5.11,;-5.55,-7.54,;-6.96,-8.18,;-4.3,-8.44,;-2.9,-7.81,;-2.74,-6.28,;-1.34,-5.65,;-.1,-6.55,;1.3,-5.91,;2.56,-6.8,;4.18,-5.87,;4.75,-7.8,;3.24,-7.52,;2.58,-6.03,;3.14,-4.74,;4.63,-4.34,;5.87,-5.26,;5.92,-6.79,;7.24,-4.55,;8.54,-5.37,;8.47,-6.92,;9.78,-7.74,;11.14,-7.03,;11.2,-5.48,;9.9,-4.66,;12.56,-4.76,;13.87,-5.58,;12.62,-3.22,;-.24,-8.08,;-1.65,-8.71,)|
Show InChI InChI=1S/C25H38N4O3/c1-28(2)25(31)27-19-8-6-17(7-9-19)12-13-29-20-10-11-21(29)16-23(15-20)32-22-5-3-4-18(14-22)24(26)30/h3-5,14,17,19-21,23H,6-13,15-16H2,1-2H3,(H2,26,30)(H,27,31)/t17-,19-,20-,21+,23+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325853
PNG
(CHEMBL1223872 | cis-3-((1R,3R,5S)-8-(2-((4S)-4-(3,...)
Show SMILES CN(C)C(=O)N[C@@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:16.16,13.12,wD:9.9,18.21,6.5,TLB:11:12:18.19.17:14.15,(4,-10.81,;2.6,-11.44,;1.35,-10.54,;2.44,-12.97,;1.04,-13.61,;3.69,-13.87,;5.1,-13.24,;5.25,-11.71,;6.65,-11.08,;7.9,-11.98,;9.3,-11.34,;10.55,-12.23,;12.17,-11.3,;12.75,-13.23,;11.23,-12.95,;10.57,-11.46,;11.14,-10.17,;12.63,-9.77,;13.87,-10.69,;13.92,-12.22,;15.23,-9.98,;16.54,-10.8,;16.47,-12.35,;17.77,-13.17,;19.14,-12.45,;19.2,-10.91,;17.9,-10.09,;20.56,-10.19,;21.86,-11,;20.62,-8.65,;7.76,-13.51,;6.35,-14.14,)|
Show InChI InChI=1S/C25H38N4O3/c1-28(2)25(31)27-19-8-6-17(7-9-19)12-13-29-20-10-11-21(29)16-23(15-20)32-22-5-3-4-18(14-22)24(26)30/h3-5,14,17,19-21,23H,6-13,15-16H2,1-2H3,(H2,26,30)(H,27,31)/t17-,19+,20-,21+,23+
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325850
PNG
(CHEMBL1223817 | trans-3-((1R,3R,5S)-8-(((4R)-4-(3,...)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:15.15,12.11,6.5,wD:9.9,17.20,TLB:10:11:17.18.16:13.14,(2.63,-3.14,;1.38,-2.24,;1.53,-.7,;-.03,-2.87,;-1.28,-1.97,;-.18,-4.4,;1.07,-5.3,;2.47,-4.67,;3.72,-5.56,;3.57,-7.09,;4.82,-7.98,;6.44,-7.05,;7.01,-8.98,;5.5,-8.7,;4.84,-7.22,;5.4,-5.92,;6.89,-5.52,;8.14,-6.45,;8.18,-7.97,;9.5,-5.73,;10.8,-6.55,;10.74,-8.1,;12.04,-8.92,;13.4,-8.21,;13.46,-6.66,;12.16,-5.84,;14.82,-5.94,;16.13,-6.76,;14.88,-4.4,;2.17,-7.74,;.91,-6.83,)|
Show InChI InChI=1S/C24H36N4O3/c1-27(2)24(30)26-18-8-6-16(7-9-18)15-28-19-10-11-20(28)14-22(13-19)31-21-5-3-4-17(12-21)23(25)29/h3-5,12,16,18-20,22H,6-11,13-15H2,1-2H3,(H2,25,29)(H,26,30)/t16-,18-,19-,20+,22+
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n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%