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PubMed code 1315868

Compile data set for download or QSAR
Found 34 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu opioid receptor


(CALF)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1


Citation and Details
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 2


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1


Citation and Details
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50000569
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@H]2O)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m1/s1
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8.80n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1


Citation and Details
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50000570
PNG
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)
Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
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13n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1


Citation and Details
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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18n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1


Citation and Details
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50000570
PNG
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)
Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
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19n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 2


Citation and Details
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50000569
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@H]2O)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m1/s1
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28n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 2


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


(Homo sapiens (human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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33n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 2


Citation and Details
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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46n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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49n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 1


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


(Homo sapiens (human))
BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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49n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 1


Citation and Details
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50000570
PNG
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)
Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
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63n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 2


Citation and Details
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50000572
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m0/s1
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75n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1


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


(Homo sapiens (human))
BDBM50000570
PNG
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)
Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
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78n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor kappa 2


Citation and Details
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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82n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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89n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 1


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000570
PNG
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)
Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
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98n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 1


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


(Homo sapiens (human))
BDBM50000569
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@H]2O)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m1/s1
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110n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 2


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000569
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@H]2O)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m1/s1
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110n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 1


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


(Homo sapiens (human))
BDBM50000570
PNG
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)
Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
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160n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 2


Citation and Details
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50000572
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m0/s1
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>275n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 2


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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280n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1


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


(Homo sapiens (human))
BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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330n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 2


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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>350n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 1


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


(Homo sapiens (human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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>350n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 2


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000569
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@H]2O)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m1/s1
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420n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1


Citation and Details
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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460n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 2


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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>500n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1


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


(Homo sapiens (human))
BDBM50000572
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m0/s1
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>500n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 2


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000572
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m0/s1
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>500n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000572
PNG
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)
Show SMILES CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m0/s1
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>500n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor kappa 1


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000570
PNG
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)
Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
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>500n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1


Citation and Details
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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>600n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 2


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