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Compile Data Set for Download or QSAR

Found 300 hits with Last Name = 'sebastian' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(CALF)
BDBM85393
PNG
(14β-(p-chlorocinnamoylamino)-7,8-dihydrocodei...)
Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(Cl)cc1 |r,TLB:22:21:16.5.6:8.11.10,9:8:21:16.5.6,THB:15:16:21:8.11.10|
Show InChI InChI=1S/C27H27ClN2O4/c1-30-14-13-26-23-17-6-9-20(33-2)24(23)34-25(26)19(31)11-12-27(26,21(30)15-17)29-22(32)10-5-16-3-7-18(28)8-4-16/h3-10,21,25H,11-15H2,1-2H3,(H,29,32)/b10-5-/t21?,25-,26?,27?/m0/s1
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0.120n/an/an/an/an/an/an/an/a



University of Rochester

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 304-11 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8XJC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM85396
PNG
(CACO)
Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(cc1)[N+]([O-])=O |r,TLB:22:21:16.5.6:8.11.10,9:8:21:16.5.6,THB:15:16:21:8.11.10|
Show InChI InChI=1S/C27H27N3O6/c1-29-14-13-26-23-17-6-9-20(35-2)24(23)36-25(26)19(31)11-12-27(26,21(29)15-17)28-22(32)10-5-16-3-7-18(8-4-16)30(33)34/h3-10,21,25H,11-15H2,1-2H3,(H,28,32)/b10-5-/t21?,25-,26?,27?/m0/s1
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0.460n/an/an/an/an/an/an/an/a



University of Rochester

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 304-11 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8XJC
More data for this
Ligand-Target Pair
Opioid receptor delta 1


(Bos taurus)
BDBM85393
PNG
(14β-(p-chlorocinnamoylamino)-7,8-dihydrocodei...)
Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(Cl)cc1 |r,TLB:22:21:16.5.6:8.11.10,9:8:21:16.5.6,THB:15:16:21:8.11.10|
Show InChI InChI=1S/C27H27ClN2O4/c1-30-14-13-26-23-17-6-9-20(33-2)24(23)34-25(26)19(31)11-12-27(26,21(30)15-17)29-22(32)10-5-16-3-7-18(28)8-4-16/h3-10,21,25H,11-15H2,1-2H3,(H,29,32)/b10-5-/t21?,25-,26?,27?/m0/s1
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0.75n/an/an/an/an/an/an/an/a



University of Rochester

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 304-11 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8XJC
More data for this
Ligand-Target Pair
Mu-type 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 |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kappa-type opioid receptor


(CALF)
BDBM85393
PNG
(14β-(p-chlorocinnamoylamino)-7,8-dihydrocodei...)
Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(Cl)cc1 |r,TLB:22:21:16.5.6:8.11.10,9:8:21:16.5.6,THB:15:16:21:8.11.10|
Show InChI InChI=1S/C27H27ClN2O4/c1-30-14-13-26-23-17-6-9-20(33-2)24(23)34-25(26)19(31)11-12-27(26,21(30)15-17)29-22(32)10-5-16-3-7-18(28)8-4-16/h3-10,21,25H,11-15H2,1-2H3,(H,29,32)/b10-5-/t21?,25-,26?,27?/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Rochester

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 304-11 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8XJC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM85394
PNG
(N-CPM-CACO)
Show SMILES COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(cc1)[N+]([O-])=O |r,TLB:25:24:19.5.6:8.14.13,9:8:24:19.5.6,THB:18:19:24:8.14.13|
Show InChI InChI=1S/C30H31N3O6/c1-38-23-10-7-20-16-24-30(31-25(35)11-6-18-4-8-21(9-5-18)33(36)37)13-12-22(34)28-29(30,26(20)27(23)39-28)14-15-32(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,31,35)/b11-6-/t24?,28-,29?,30?/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Rochester

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 304-11 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8XJC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM85395
PNG
(MC-CAM)
Show SMILES COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(Cl)cc1 |r,TLB:25:24:19.5.6:8.14.13,9:8:24:19.5.6,THB:18:19:24:8.14.13|
Show InChI InChI=1S/C30H31ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/b11-6-/t24?,28-,29?,30?/m0/s1
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1.40n/an/an/an/an/an/an/an/a



University of Rochester

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 304-11 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8XJC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50050482
PNG
(10-Amino-9-methoxymethyl-1-methyl-tricyclo[7.3.1.0...)
Show SMILES COCC12Cc3ccc(O)cc3C(C)(CCC1N)C2 |THB:10:11:18:16.14.15,17:16:18:11.5.4|
Show InChI InChI=1S/C16H23NO2/c1-15-6-5-14(17)16(9-15,10-19-2)8-11-3-4-12(18)7-13(11)15/h3-4,7,14,18H,5-6,8-10,17H2,1-2H3
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2.29n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50050482
PNG
(10-Amino-9-methoxymethyl-1-methyl-tricyclo[7.3.1.0...)
Show SMILES COCC12Cc3ccc(O)cc3C(C)(CCC1N)C2 |THB:10:11:18:16.14.15,17:16:18:11.5.4|
Show InChI InChI=1S/C16H23NO2/c1-15-6-5-14(17)16(9-15,10-19-2)8-11-3-4-12(18)7-13(11)15/h3-4,7,14,18H,5-6,8-10,17H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50050482
PNG
(10-Amino-9-methoxymethyl-1-methyl-tricyclo[7.3.1.0...)
Show SMILES COCC12Cc3ccc(O)cc3C(C)(CCC1N)C2 |THB:10:11:18:16.14.15,17:16:18:11.5.4|
Show InChI InChI=1S/C16H23NO2/c1-15-6-5-14(17)16(9-15,10-19-2)8-11-3-4-12(18)7-13(11)15/h3-4,7,14,18H,5-6,8-10,17H2,1-2H3
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6.62n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]U69,593 at Opioid receptor kappa 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(CALF)
BDBM85394
PNG
(N-CPM-CACO)
Show SMILES COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(cc1)[N+]([O-])=O |r,TLB:25:24:19.5.6:8.14.13,9:8:24:19.5.6,THB:18:19:24:8.14.13|
Show InChI InChI=1S/C30H31N3O6/c1-38-23-10-7-20-16-24-30(31-25(35)11-6-18-4-8-21(9-5-18)33(36)37)13-12-22(34)28-29(30,26(20)27(23)39-28)14-15-32(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,31,35)/b11-6-/t24?,28-,29?,30?/m0/s1
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9.80n/an/an/an/an/an/an/an/a



University of Rochester

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 304-11 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8XJC
More data for this
Ligand-Target Pair
Opioid receptor delta 1


(Bos taurus)
BDBM85395
PNG
(MC-CAM)
Show SMILES COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(Cl)cc1 |r,TLB:25:24:19.5.6:8.14.13,9:8:24:19.5.6,THB:18:19:24:8.14.13|
Show InChI InChI=1S/C30H31ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/b11-6-/t24?,28-,29?,30?/m0/s1
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12n/an/an/an/an/an/an/an/a



University of Rochester

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 304-11 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8XJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(CALF)
BDBM85395
PNG
(MC-CAM)
Show SMILES COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(Cl)cc1 |r,TLB:25:24:19.5.6:8.14.13,9:8:24:19.5.6,THB:18:19:24:8.14.13|
Show InChI InChI=1S/C30H31ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/b11-6-/t24?,28-,29?,30?/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Rochester

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 304-11 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8XJC
More data for this
Ligand-Target Pair
Opioid receptor delta 1


(Bos taurus)
BDBM85394
PNG
(N-CPM-CACO)
Show SMILES COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(cc1)[N+]([O-])=O |r,TLB:25:24:19.5.6:8.14.13,9:8:24:19.5.6,THB:18:19:24:8.14.13|
Show InChI InChI=1S/C30H31N3O6/c1-38-23-10-7-20-16-24-30(31-25(35)11-6-18-4-8-21(9-5-18)33(36)37)13-12-22(34)28-29(30,26(20)27(23)39-28)14-15-32(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,31,35)/b11-6-/t24?,28-,29?,30?/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Rochester

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 304-11 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8XJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50050479
PNG
(3,9-dimethyl-3,5-diazatetracyclo[7.7.1.01,6.010,15...)
Show SMILES CN1CNC2CCC3(C)CC2(C1)Cc1ccc(O)cc31 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
Show InChI InChI=1S/C17H24N2O/c1-16-6-5-15-17(9-16,10-19(2)11-18-15)8-12-3-4-13(20)7-14(12)16/h3-4,7,15,18,20H,5-6,8-11H2,1-2H3
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17n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]U69,593 at Opioid receptor kappa 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(CALF)
BDBM85396
PNG
(CACO)
Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(cc1)[N+]([O-])=O |r,TLB:22:21:16.5.6:8.11.10,9:8:21:16.5.6,THB:15:16:21:8.11.10|
Show InChI InChI=1S/C27H27N3O6/c1-29-14-13-26-23-17-6-9-20(35-2)24(23)36-25(26)19(31)11-12-27(26,21(29)15-17)28-22(32)10-5-16-3-7-18(8-4-16)30(33)34/h3-10,21,25H,11-15H2,1-2H3,(H,28,32)/b10-5-/t21?,25-,26?,27?/m0/s1
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19n/an/an/an/an/an/an/an/a



University of Rochester

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 304-11 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8XJC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50050487
PNG
(10-Dimethylamino-9-methoxymethyl-1-methyl-tricyclo...)
Show SMILES COCC12Cc3ccc(O)cc3C(C)(CCC1N(C)C)C2 |THB:17:16:20:11.5.4,10:11:20:16.15.14|
Show InChI InChI=1S/C18H27NO2/c1-17-8-7-16(19(2)3)18(11-17,12-21-4)10-13-5-6-14(20)9-15(13)17/h5-6,9,16,20H,7-8,10-12H2,1-4H3
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25.2n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50050487
PNG
(10-Dimethylamino-9-methoxymethyl-1-methyl-tricyclo...)
Show SMILES COCC12Cc3ccc(O)cc3C(C)(CCC1N(C)C)C2 |THB:17:16:20:11.5.4,10:11:20:16.15.14|
Show InChI InChI=1S/C18H27NO2/c1-17-8-7-16(19(2)3)18(11-17,12-21-4)10-13-5-6-14(20)9-15(13)17/h5-6,9,16,20H,7-8,10-12H2,1-4H3
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25.2n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50050479
PNG
(3,9-dimethyl-3,5-diazatetracyclo[7.7.1.01,6.010,15...)
Show SMILES CN1CNC2CCC3(C)CC2(C1)Cc1ccc(O)cc31 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
Show InChI InChI=1S/C17H24N2O/c1-16-6-5-15-17(9-16,10-19(2)11-18-15)8-12-3-4-13(20)7-14(12)16/h3-4,7,15,18,20H,5-6,8-11H2,1-2H3
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27.7n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50050484
PNG
(10-Amino-9-hydroxymethyl-1-methyl-tricyclo[7.3.1.0...)
Show SMILES CC12CCC(N)C(CO)(Cc3ccc(O)cc13)C2 |THB:15:16:17:4.2.3,5:4:17:16.10.9|
Show InChI InChI=1S/C15H21NO2/c1-14-5-4-13(16)15(8-14,9-17)7-10-2-3-11(18)6-12(10)14/h2-3,6,13,17-18H,4-5,7-9,16H2,1H3
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40.6n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50050484
PNG
(10-Amino-9-hydroxymethyl-1-methyl-tricyclo[7.3.1.0...)
Show SMILES CC12CCC(N)C(CO)(Cc3ccc(O)cc13)C2 |THB:15:16:17:4.2.3,5:4:17:16.10.9|
Show InChI InChI=1S/C15H21NO2/c1-14-5-4-13(16)15(8-14,9-17)7-10-2-3-11(18)6-12(10)14/h2-3,6,13,17-18H,4-5,7-9,16H2,1H3
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41n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50050481
PNG
(10-Amino-1-methyl-9-methylaminomethyl-tricyclo[7.3...)
Show SMILES CNCC12Cc3ccc(O)cc3C(C)(CCC1N)C2 |THB:10:11:18:16.14.15,17:16:18:11.5.4|
Show InChI InChI=1S/C16H24N2O/c1-15-6-5-14(17)16(9-15,10-18-2)8-11-3-4-12(19)7-13(11)15/h3-4,7,14,18-19H,5-6,8-10,17H2,1-2H3
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52n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]U69,593 at Opioid receptor kappa 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50050481
PNG
(10-Amino-1-methyl-9-methylaminomethyl-tricyclo[7.3...)
Show SMILES CNCC12Cc3ccc(O)cc3C(C)(CCC1N)C2 |THB:10:11:18:16.14.15,17:16:18:11.5.4|
Show InChI InChI=1S/C16H24N2O/c1-15-6-5-14(17)16(9-15,10-18-2)8-11-3-4-12(19)7-13(11)15/h3-4,7,14,18-19H,5-6,8-10,17H2,1-2H3
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91.6n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50050485
PNG
((1R,9R)-9-Methoxymethyl-1,10-dimethyl-10-aza-tricy...)
Show SMILES COC[C@@]12Cc3ccc(O)cc3[C@@](C)(C1)CCCN2C
Show InChI InChI=1S/C17H25NO2/c1-16-7-4-8-18(2)17(11-16,12-20-3)10-13-5-6-14(19)9-15(13)16/h5-6,9,19H,4,7-8,10-12H2,1-3H3/t16-,17-/m1/s1
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102n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50050484
PNG
(10-Amino-9-hydroxymethyl-1-methyl-tricyclo[7.3.1.0...)
Show SMILES CC12CCC(N)C(CO)(Cc3ccc(O)cc13)C2 |THB:15:16:17:4.2.3,5:4:17:16.10.9|
Show InChI InChI=1S/C15H21NO2/c1-14-5-4-13(16)15(8-14,9-17)7-10-2-3-11(18)6-12(10)14/h2-3,6,13,17-18H,4-5,7-9,16H2,1H3
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109n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]U69,593 at Opioid receptor kappa 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50050487
PNG
(10-Dimethylamino-9-methoxymethyl-1-methyl-tricyclo...)
Show SMILES COCC12Cc3ccc(O)cc3C(C)(CCC1N(C)C)C2 |THB:17:16:20:11.5.4,10:11:20:16.15.14|
Show InChI InChI=1S/C18H27NO2/c1-17-8-7-16(19(2)3)18(11-17,12-21-4)10-13-5-6-14(20)9-15(13)17/h5-6,9,16,20H,7-8,10-12H2,1-4H3
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123n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]U69,593 at Opioid receptor kappa 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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132n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]-DPDPE at Opioid receptor delta 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50050483
PNG
(9,13-dimethyl-13-azatetracyclo[7.5.1.01,12.03,8]pe...)
Show SMILES CN1CC23Cc4ccc(O)cc4C(C)(CCC12)C3 |THB:1:16:17:11.5.4,10:11:17:16.15.14|
Show InChI InChI=1S/C16H21NO/c1-15-6-5-14-16(9-15,10-17(14)2)8-11-3-4-12(18)7-13(11)15/h3-4,7,14,18H,5-6,8-10H2,1-2H3
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179n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50050483
PNG
(9,13-dimethyl-13-azatetracyclo[7.5.1.01,12.03,8]pe...)
Show SMILES CN1CC23Cc4ccc(O)cc4C(C)(CCC12)C3 |THB:1:16:17:11.5.4,10:11:17:16.15.14|
Show InChI InChI=1S/C16H21NO/c1-15-6-5-14-16(9-15,10-17(14)2)8-11-3-4-12(18)7-13(11)15/h3-4,7,14,18H,5-6,8-10H2,1-2H3
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215n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]U69,593 at Opioid receptor kappa 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50050478
PNG
(10-Dimethylamino-1,9-dimethyl-tricyclo[7.3.1.0*2,7...)
Show SMILES CN(C)C1CCC2(C)CC1(C)Cc1ccc(O)cc21 |TLB:1:3:8:18.12.11,THB:17:18:8:3.4.5|
Show InChI InChI=1S/C17H25NO/c1-16-8-7-15(18(3)4)17(2,11-16)10-12-5-6-13(19)9-14(12)16/h5-6,9,15,19H,7-8,10-11H2,1-4H3
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297n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50050478
PNG
(10-Dimethylamino-1,9-dimethyl-tricyclo[7.3.1.0*2,7...)
Show SMILES CN(C)C1CCC2(C)CC1(C)Cc1ccc(O)cc21 |TLB:1:3:8:18.12.11,THB:17:18:8:3.4.5|
Show InChI InChI=1S/C17H25NO/c1-16-8-7-15(18(3)4)17(2,11-16)10-12-5-6-13(19)9-14(12)16/h5-6,9,15,19H,7-8,10-11H2,1-4H3
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297n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Kappa-type 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 |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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330n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]U69,593 at Opioid receptor kappa 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50050480
PNG
(9-Hydroxymethyl-1-methyl-10-methylamino-tricyclo[7...)
Show SMILES CNC1CCC2(C)CC1(CO)Cc1ccc(O)cc21 |TLB:1:2:7:18.12.11,THB:17:18:7:2.4.3|
Show InChI InChI=1S/C16H23NO2/c1-15-6-5-14(17-2)16(9-15,10-18)8-11-3-4-12(19)7-13(11)15/h3-4,7,14,17-19H,5-6,8-10H2,1-2H3
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380n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50050480
PNG
(9-Hydroxymethyl-1-methyl-10-methylamino-tricyclo[7...)
Show SMILES CNC1CCC2(C)CC1(CO)Cc1ccc(O)cc21 |TLB:1:2:7:18.12.11,THB:17:18:7:2.4.3|
Show InChI InChI=1S/C16H23NO2/c1-15-6-5-14(17-2)16(9-15,10-18)8-11-3-4-12(19)7-13(11)15/h3-4,7,14,17-19H,5-6,8-10H2,1-2H3
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380n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50050478
PNG
(10-Dimethylamino-1,9-dimethyl-tricyclo[7.3.1.0*2,7...)
Show SMILES CN(C)C1CCC2(C)CC1(C)Cc1ccc(O)cc21 |TLB:1:3:8:18.12.11,THB:17:18:8:3.4.5|
Show InChI InChI=1S/C17H25NO/c1-16-8-7-15(18(3)4)17(2,11-16)10-12-5-6-13(19)9-14(12)16/h5-6,9,15,19H,7-8,10-11H2,1-4H3
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409n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]U69,593 at Opioid receptor kappa 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50050481
PNG
(10-Amino-1-methyl-9-methylaminomethyl-tricyclo[7.3...)
Show SMILES CNCC12Cc3ccc(O)cc3C(C)(CCC1N)C2 |THB:10:11:18:16.14.15,17:16:18:11.5.4|
Show InChI InChI=1S/C16H24N2O/c1-15-6-5-14(17)16(9-15,10-18-2)8-11-3-4-12(19)7-13(11)15/h3-4,7,14,18-19H,5-6,8-10,17H2,1-2H3
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459n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]-DPDPE at Opioid receptor delta 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50050482
PNG
(10-Amino-9-methoxymethyl-1-methyl-tricyclo[7.3.1.0...)
Show SMILES COCC12Cc3ccc(O)cc3C(C)(CCC1N)C2 |THB:10:11:18:16.14.15,17:16:18:11.5.4|
Show InChI InChI=1S/C16H23NO2/c1-15-6-5-14(17)16(9-15,10-19-2)8-11-3-4-12(18)7-13(11)15/h3-4,7,14,18H,5-6,8-10,17H2,1-2H3
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467n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]-DPDPE at Opioid receptor delta 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50050480
PNG
(9-Hydroxymethyl-1-methyl-10-methylamino-tricyclo[7...)
Show SMILES CNC1CCC2(C)CC1(CO)Cc1ccc(O)cc21 |TLB:1:2:7:18.12.11,THB:17:18:7:2.4.3|
Show InChI InChI=1S/C16H23NO2/c1-15-6-5-14(17-2)16(9-15,10-18)8-11-3-4-12(19)7-13(11)15/h3-4,7,14,17-19H,5-6,8-10H2,1-2H3
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650n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]U69,593 at Opioid receptor kappa 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50050485
PNG
((1R,9R)-9-Methoxymethyl-1,10-dimethyl-10-aza-tricy...)
Show SMILES COC[C@@]12Cc3ccc(O)cc3[C@@](C)(C1)CCCN2C
Show InChI InChI=1S/C17H25NO2/c1-16-7-4-8-18(2)17(11-16,12-20-3)10-13-5-6-14(19)9-15(13)16/h5-6,9,19H,4,7-8,10-12H2,1-3H3/t16-,17-/m1/s1
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795n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]U69,593 at Opioid receptor kappa 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50050477
PNG
(10-Dimethylamino-9-hydroxymethyl-1-methyl-tricyclo...)
Show SMILES CN(C)C1CCC2(C)CC1(CO)Cc1ccc(O)cc21 |TLB:1:3:8:19.13.12,THB:18:19:8:3.4.5|
Show InChI InChI=1S/C17H25NO2/c1-16-7-6-15(18(2)3)17(10-16,11-19)9-12-4-5-13(20)8-14(12)16/h4-5,8,15,19-20H,6-7,9-11H2,1-3H3
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830n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50050477
PNG
(10-Dimethylamino-9-hydroxymethyl-1-methyl-tricyclo...)
Show SMILES CN(C)C1CCC2(C)CC1(CO)Cc1ccc(O)cc21 |TLB:1:3:8:19.13.12,THB:18:19:8:3.4.5|
Show InChI InChI=1S/C17H25NO2/c1-16-7-6-15(18(2)3)17(10-16,11-19)9-12-4-5-13(20)8-14(12)16/h4-5,8,15,19-20H,6-7,9-11H2,1-3H3
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830n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50050479
PNG
(3,9-dimethyl-3,5-diazatetracyclo[7.7.1.01,6.010,15...)
Show SMILES CN1CNC2CCC3(C)CC2(C1)Cc1ccc(O)cc31 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
Show InChI InChI=1S/C17H24N2O/c1-16-6-5-15-17(9-16,10-19(2)11-18-15)8-12-3-4-13(20)7-14(12)16/h3-4,7,15,18,20H,5-6,8-11H2,1-2H3
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863n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]-DPDPE at Opioid receptor delta 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50050487
PNG
(10-Dimethylamino-9-methoxymethyl-1-methyl-tricyclo...)
Show SMILES COCC12Cc3ccc(O)cc3C(C)(CCC1N(C)C)C2 |THB:17:16:20:11.5.4,10:11:20:16.15.14|
Show InChI InChI=1S/C18H27NO2/c1-17-8-7-16(19(2)3)18(11-17,12-21-4)10-13-5-6-14(20)9-15(13)17/h5-6,9,16,20H,7-8,10-12H2,1-4H3
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1.40E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]-DPDPE at Opioid receptor delta 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50050477
PNG
(10-Dimethylamino-9-hydroxymethyl-1-methyl-tricyclo...)
Show SMILES CN(C)C1CCC2(C)CC1(CO)Cc1ccc(O)cc21 |TLB:1:3:8:19.13.12,THB:18:19:8:3.4.5|
Show InChI InChI=1S/C17H25NO2/c1-16-7-6-15(18(2)3)17(10-16,11-19)9-12-4-5-13(20)8-14(12)16/h4-5,8,15,19-20H,6-7,9-11H2,1-3H3
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2.90E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]U69,593 at Opioid receptor kappa 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50050486
PNG
(1-methoxymethyl-9-methyl-(1S,9R)-2,3,4,5-tetraazat...)
Show SMILES COC[C@@]12Cc3ccc(O)cc3[C@@](C)(C1)CCc1nnnn21
Show InChI InChI=1S/C16H20N4O2/c1-15-6-5-14-17-18-19-20(14)16(9-15,10-22-2)8-11-3-4-12(21)7-13(11)15/h3-4,7,21H,5-6,8-10H2,1-2H3/t15-,16-/m1/s1
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3.80E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50050485
PNG
((1R,9R)-9-Methoxymethyl-1,10-dimethyl-10-aza-tricy...)
Show SMILES COC[C@@]12Cc3ccc(O)cc3[C@@](C)(C1)CCCN2C
Show InChI InChI=1S/C17H25NO2/c1-16-7-4-8-18(2)17(11-16,12-20-3)10-13-5-6-14(19)9-15(13)16/h5-6,9,19H,4,7-8,10-12H2,1-3H3/t16-,17-/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]-DPDPE at Opioid receptor delta 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50050483
PNG
(9,13-dimethyl-13-azatetracyclo[7.5.1.01,12.03,8]pe...)
Show SMILES CN1CC23Cc4ccc(O)cc4C(C)(CCC12)C3 |THB:1:16:17:11.5.4,10:11:17:16.15.14|
Show InChI InChI=1S/C16H21NO/c1-15-6-5-14-16(9-15,10-17(14)2)8-11-3-4-12(18)7-13(11)15/h3-4,7,14,18H,5-6,8-10H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]-DPDPE at Opioid receptor delta 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50050478
PNG
(10-Dimethylamino-1,9-dimethyl-tricyclo[7.3.1.0*2,7...)
Show SMILES CN(C)C1CCC2(C)CC1(C)Cc1ccc(O)cc21 |TLB:1:3:8:18.12.11,THB:17:18:8:3.4.5|
Show InChI InChI=1S/C17H25NO/c1-16-8-7-15(18(3)4)17(2,11-16)10-12-5-6-13(19)9-14(12)16/h5-6,9,15,19H,7-8,10-11H2,1-4H3
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1.00E+4n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]-DPDPE at Opioid receptor delta 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50050486
PNG
(1-methoxymethyl-9-methyl-(1S,9R)-2,3,4,5-tetraazat...)
Show SMILES COC[C@@]12Cc3ccc(O)cc3[C@@](C)(C1)CCc1nnnn21
Show InChI InChI=1S/C16H20N4O2/c1-15-6-5-14-17-18-19-20(14)16(9-15,10-22-2)8-11-3-4-12(21)7-13(11)15/h3-4,7,21H,5-6,8-10H2,1-2H3/t15-,16-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]U69,593 at Opioid receptor kappa 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50050486
PNG
(1-methoxymethyl-9-methyl-(1S,9R)-2,3,4,5-tetraazat...)
Show SMILES COC[C@@]12Cc3ccc(O)cc3[C@@](C)(C1)CCc1nnnn21
Show InChI InChI=1S/C16H20N4O2/c1-15-6-5-14-17-18-19-20(14)16(9-15,10-22-2)8-11-3-4-12(21)7-13(11)15/h3-4,7,21H,5-6,8-10H2,1-2H3/t15-,16-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 1 nM [3H]-DPDPE at Opioid receptor delta 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
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