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Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'colasurdo' and Initial = 'am'   
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


(Cavia porcellus (domestic guinea pig))
BDBM50001023
PNG
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
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0.0520n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50290071
PNG
(CHEMBL542149 | N-[(S)-1-(3-Amino-phenyl)-2-pyrroli...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C21H25Cl2N3O/c1-25(21(27)12-15-7-8-18(22)19(23)11-15)20(14-26-9-2-3-10-26)16-5-4-6-17(24)13-16/h4-8,11,13,20H,2-3,9-10,12,14,24H2,1H3/t20-/m1/s1
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0.0592n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Opioid receptor kappa1 binding to guinea pig brain membranes, using 1 nM [3H]- U69,593 as radioligand


Bioorg Med Chem Lett 7: 2271-2276 (1997)


Article DOI: 10.1016/S0960-894X(97)00406-X
BindingDB Entry DOI: 10.7270/Q2GB242Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50290076
PNG
(CHEMBL558596 | N-[(S)-1-(3-Acetylamino-phenyl)-2-p...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(C)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C23H27Cl2N3O2/c1-16(29)26-19-7-5-6-18(14-19)22(15-28-10-3-4-11-28)27(2)23(30)13-17-8-9-20(24)21(25)12-17/h5-9,12,14,22H,3-4,10-11,13,15H2,1-2H3,(H,26,29)/t22-/m1/s1
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0.0855n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Opioid receptor kappa1 binding to guinea pig brain membranes, using 1 nM [3H]- U69,593 as radioligand


Bioorg Med Chem Lett 7: 2271-2276 (1997)


Article DOI: 10.1016/S0960-894X(97)00406-X
BindingDB Entry DOI: 10.7270/Q2GB242Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50001023
PNG
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor mu 1 obtained from guinea pig brain membranes using [3H]DAMGO as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50083926
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17?,18-/m0/s1
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0.180n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50083926
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17?,18-/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor mu 1 obtained from guinea pig brain membranes using [3H]DAMGO as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50369586
PNG
(CHEMBL326516)
Show SMILES C[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3|
Show InChI InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23+,24-/m0/s1
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0.540n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50369586
PNG
(CHEMBL326516)
Show SMILES C[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3|
Show InChI InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23+,24-/m0/s1
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0.540n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001023
PNG
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
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0.580n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor delta 1 obtained from guinea pig brain membranes using [3H]naltrindole as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50369586
PNG
(CHEMBL326516)
Show SMILES C[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3|
Show InChI InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23+,24-/m0/s1
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0.830n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50290072
PNG
(5-{3-[3-((S)-1-{[2-(3,4-Dichloro-phenyl)-acetyl]-m...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |wU:2.1,(9.81,-19.13,;9.81,-17.59,;11.14,-16.82,;12.48,-17.59,;13.81,-16.82,;13.97,-15.27,;15.48,-14.95,;16.25,-16.27,;15.23,-17.43,;11.14,-15.27,;9.81,-14.53,;9.81,-12.99,;11.14,-12.21,;12.48,-12.97,;13.81,-12.21,;13.81,-10.67,;12.48,-9.9,;15.14,-9.88,;15.14,-8.34,;13.81,-7.6,;13.8,-6.05,;15.14,-5.28,;16.48,-6.05,;16.48,-7.58,;18.02,-6.05,;18.78,-7.37,;18.78,-4.72,;15.14,-3.74,;13.81,-2.97,;12.49,-3.74,;11.16,-3,;11.14,-1.45,;9.81,-.7,;12.48,-.68,;13.8,-1.45,;15.14,-.66,;16.48,-1.43,;17.78,-.66,;19.11,-1.42,;20.43,-.65,;19.12,-2.96,;17.78,-3.72,;16.48,-2.96,;12.48,-14.52,;8.47,-16.82,;8.47,-15.27,;7.14,-17.6,;5.79,-16.83,;5.79,-15.27,;4.47,-14.51,;3.14,-15.3,;1.8,-14.51,;3.14,-16.83,;1.77,-17.6,;4.47,-17.6,)|
Show InChI InChI=1S/C42H36Cl2N4O6S/c1-47(39(51)18-24-7-14-34(43)35(44)17-24)36(23-48-15-2-3-16-48)25-5-4-6-26(19-25)45-42(55)46-27-8-11-30(33(20-27)41(52)53)40-31-12-9-28(49)21-37(31)54-38-22-29(50)10-13-32(38)40/h4-14,17,19-22,36,49H,2-3,15-16,18,23H2,1H3,(H,52,53)(H2,45,46,55)/t36-/m1/s1
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Article
0.898n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Opioid receptor delta 1 binding to guinea pig brain membranes, using 0.2 nM [3H]-naltrindole as radiolig...


Bioorg Med Chem Lett 7: 2271-2276 (1997)


Article DOI: 10.1016/S0960-894X(97)00406-X
BindingDB Entry DOI: 10.7270/Q2GB242Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50369586
PNG
(CHEMBL326516)
Show SMILES C[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3|
Show InChI InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23+,24-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor mu 1 obtained from guinea pig brain membranes using [3H]DAMGO as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50369586
PNG
(CHEMBL326516)
Show SMILES C[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3|
Show InChI InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23+,24-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor mu 1 obtained from guinea pig brain membranes using [3H]DAMGO as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50083926
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17?,18-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor delta 1 obtained from guinea pig brain membranes using [3H]naltrindole as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085024
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17?,18-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50369586
PNG
(CHEMBL326516)
Show SMILES C[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3|
Show InChI InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23+,24-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor mu 1 obtained from guinea pig brain membranes using [3H]DAMGO as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50290072
PNG
(5-{3-[3-((S)-1-{[2-(3,4-Dichloro-phenyl)-acetyl]-m...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |wU:2.1,(9.81,-19.13,;9.81,-17.59,;11.14,-16.82,;12.48,-17.59,;13.81,-16.82,;13.97,-15.27,;15.48,-14.95,;16.25,-16.27,;15.23,-17.43,;11.14,-15.27,;9.81,-14.53,;9.81,-12.99,;11.14,-12.21,;12.48,-12.97,;13.81,-12.21,;13.81,-10.67,;12.48,-9.9,;15.14,-9.88,;15.14,-8.34,;13.81,-7.6,;13.8,-6.05,;15.14,-5.28,;16.48,-6.05,;16.48,-7.58,;18.02,-6.05,;18.78,-7.37,;18.78,-4.72,;15.14,-3.74,;13.81,-2.97,;12.49,-3.74,;11.16,-3,;11.14,-1.45,;9.81,-.7,;12.48,-.68,;13.8,-1.45,;15.14,-.66,;16.48,-1.43,;17.78,-.66,;19.11,-1.42,;20.43,-.65,;19.12,-2.96,;17.78,-3.72,;16.48,-2.96,;12.48,-14.52,;8.47,-16.82,;8.47,-15.27,;7.14,-17.6,;5.79,-16.83,;5.79,-15.27,;4.47,-14.51,;3.14,-15.3,;1.8,-14.51,;3.14,-16.83,;1.77,-17.6,;4.47,-17.6,)|
Show InChI InChI=1S/C42H36Cl2N4O6S/c1-47(39(51)18-24-7-14-34(43)35(44)17-24)36(23-48-15-2-3-16-48)25-5-4-6-26(19-25)45-42(55)46-27-8-11-30(33(20-27)41(52)53)40-31-12-9-28(49)21-37(31)54-38-22-29(50)10-13-32(38)40/h4-14,17,19-22,36,49H,2-3,15-16,18,23H2,1H3,(H,52,53)(H2,45,46,55)/t36-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Opioid receptor kappa1 binding to guinea pig brain membranes, using 1 nM [3H]- U69,593 as radioligand


Bioorg Med Chem Lett 7: 2271-2276 (1997)


Article DOI: 10.1016/S0960-894X(97)00406-X
BindingDB Entry DOI: 10.7270/Q2GB242Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50085021
PNG
(Benzyl-((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl...)
Show SMILES C[C@H]1C2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
Show InChI InChI=1S/C25H32N2/c1-18-24-14-21-10-11-22(26-16-19-6-4-3-5-7-19)15-23(21)25(18,2)12-13-27(24)17-20-8-9-20/h3-7,10-11,15,18,20,24,26H,8-9,12-14,16-17H2,1-2H3/t18-,24?,25-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor mu 1 obtained from guinea pig brain membranes using [3H]DAMGO as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50085021
PNG
(Benzyl-((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl...)
Show SMILES C[C@H]1C2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
Show InChI InChI=1S/C25H32N2/c1-18-24-14-21-10-11-22(26-16-19-6-4-3-5-7-19)15-23(21)25(18,2)12-13-27(24)17-20-8-9-20/h3-7,10-11,15,18,20,24,26H,8-9,12-14,16-17H2,1-2H3/t18-,24?,25-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor mu 1 obtained from guinea pig brain membranes using [3H]DAMGO as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50290070
PNG
(5-{3-[3-(1-{[2-(3,4-Dichloro-phenyl)-acetyl]-methy...)
Show SMILES CN(C(CN1CCCC1)c1cccc(NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |(8.59,-17.5,;8.59,-15.95,;9.92,-15.18,;11.25,-15.95,;12.59,-15.17,;12.75,-13.63,;14.26,-13.31,;15.03,-14.64,;14.01,-15.79,;9.92,-13.64,;8.59,-12.88,;8.58,-11.34,;9.92,-10.55,;11.25,-11.32,;12.59,-10.55,;12.59,-9.01,;11.25,-8.24,;13.92,-8.24,;13.92,-6.69,;12.59,-5.94,;12.58,-4.4,;13.92,-3.62,;15.25,-4.4,;15.25,-5.92,;16.8,-4.4,;17.57,-5.73,;17.57,-3.05,;13.92,-2.08,;12.59,-1.32,;11.27,-2.09,;9.94,-1.34,;9.92,.2,;8.59,.97,;11.25,.97,;12.58,.21,;13.91,1.01,;15.25,.23,;16.58,1,;17.89,.25,;19.23,1.02,;17.91,-1.29,;16.58,-2.07,;15.25,-1.29,;11.25,-12.87,;7.25,-15.18,;7.25,-13.64,;5.92,-15.95,;4.57,-15.18,;4.57,-13.64,;3.23,-12.87,;1.9,-13.64,;.57,-12.87,;1.9,-15.18,;.56,-15.95,;3.23,-15.95,)|
Show InChI InChI=1S/C42H36Cl2N4O6S/c1-47(39(51)18-24-7-14-34(43)35(44)17-24)36(23-48-15-2-3-16-48)25-5-4-6-26(19-25)45-42(55)46-27-8-11-30(33(20-27)41(52)53)40-31-12-9-28(49)21-37(31)54-38-22-29(50)10-13-32(38)40/h4-14,17,19-22,36,49H,2-3,15-16,18,23H2,1H3,(H,52,53)(H2,45,46,55)
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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Opioid receptor delta 1 binding to guinea pig brain membranes, using 0.2 nM [3H]-naltrindole as radiolig...


Bioorg Med Chem Lett 7: 2271-2276 (1997)


Article DOI: 10.1016/S0960-894X(97)00406-X
BindingDB Entry DOI: 10.7270/Q2GB242Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50085024
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17?,18-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor mu 1 obtained from guinea pig brain membranes using [3H]DAMGO as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085028
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES CCNc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:16:15:9:20.6.7,21:20:9:15.13.14|
Show InChI InChI=1S/C20H30N2/c1-4-21-17-8-7-16-11-19-14(2)20(3,18(16)12-17)9-10-22(19)13-15-5-6-15/h7-8,12,14-15,19,21H,4-6,9-11,13H2,1-3H3/t14-,19?,20-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085021
PNG
(Benzyl-((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl...)
Show SMILES C[C@H]1C2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
Show InChI InChI=1S/C25H32N2/c1-18-24-14-21-10-11-22(26-16-19-6-4-3-5-7-19)15-23(21)25(18,2)12-13-27(24)17-20-8-9-20/h3-7,10-11,15,18,20,24,26H,8-9,12-14,16-17H2,1-2H3/t18-,24?,25-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085021
PNG
(Benzyl-((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl...)
Show SMILES C[C@H]1C2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
Show InChI InChI=1S/C25H32N2/c1-18-24-14-21-10-11-22(26-16-19-6-4-3-5-7-19)15-23(21)25(18,2)12-13-27(24)17-20-8-9-20/h3-7,10-11,15,18,20,24,26H,8-9,12-14,16-17H2,1-2H3/t18-,24?,25-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50085028
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES CCNc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:16:15:9:20.6.7,21:20:9:15.13.14|
Show InChI InChI=1S/C20H30N2/c1-4-21-17-8-7-16-11-19-14(2)20(3,18(16)12-17)9-10-22(19)13-15-5-6-15/h7-8,12,14-15,19,21H,4-6,9-11,13H2,1-3H3/t14-,19?,20-/m0/s1
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5.10n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor mu 1 obtained from guinea pig brain membranes using [3H]DAMGO as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50369586
PNG
(CHEMBL326516)
Show SMILES C[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3|
Show InChI InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23+,24-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor delta 1 obtained from guinea pig brain membranes using [3H]naltrindole as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50369586
PNG
(CHEMBL326516)
Show SMILES C[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3|
Show InChI InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23+,24-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor delta 1 obtained from guinea pig brain membranes using [3H]naltrindole as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50290071
PNG
(CHEMBL542149 | N-[(S)-1-(3-Amino-phenyl)-2-pyrroli...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C21H25Cl2N3O/c1-25(21(27)12-15-7-8-18(22)19(23)11-15)20(14-26-9-2-3-10-26)16-5-4-6-17(24)13-16/h4-8,11,13,20H,2-3,9-10,12,14,24H2,1H3/t20-/m1/s1
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7.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Opioid receptor mu 1 binding to guinea pig brain membranes, using [3H]- DAMGO as radioligand


Bioorg Med Chem Lett 7: 2271-2276 (1997)


Article DOI: 10.1016/S0960-894X(97)00406-X
BindingDB Entry DOI: 10.7270/Q2GB242Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50290071
PNG
(CHEMBL542149 | N-[(S)-1-(3-Amino-phenyl)-2-pyrroli...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C21H25Cl2N3O/c1-25(21(27)12-15-7-8-18(22)19(23)11-15)20(14-26-9-2-3-10-26)16-5-4-6-17(24)13-16/h4-8,11,13,20H,2-3,9-10,12,14,24H2,1H3/t20-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Opioid receptor delta 1 binding to guinea pig brain membranes, using 0.2 nM [3H]-naltrindole as radiolig...


Bioorg Med Chem Lett 7: 2271-2276 (1997)


Article DOI: 10.1016/S0960-894X(97)00406-X
BindingDB Entry DOI: 10.7270/Q2GB242Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50290070
PNG
(5-{3-[3-(1-{[2-(3,4-Dichloro-phenyl)-acetyl]-methy...)
Show SMILES CN(C(CN1CCCC1)c1cccc(NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |(8.59,-17.5,;8.59,-15.95,;9.92,-15.18,;11.25,-15.95,;12.59,-15.17,;12.75,-13.63,;14.26,-13.31,;15.03,-14.64,;14.01,-15.79,;9.92,-13.64,;8.59,-12.88,;8.58,-11.34,;9.92,-10.55,;11.25,-11.32,;12.59,-10.55,;12.59,-9.01,;11.25,-8.24,;13.92,-8.24,;13.92,-6.69,;12.59,-5.94,;12.58,-4.4,;13.92,-3.62,;15.25,-4.4,;15.25,-5.92,;16.8,-4.4,;17.57,-5.73,;17.57,-3.05,;13.92,-2.08,;12.59,-1.32,;11.27,-2.09,;9.94,-1.34,;9.92,.2,;8.59,.97,;11.25,.97,;12.58,.21,;13.91,1.01,;15.25,.23,;16.58,1,;17.89,.25,;19.23,1.02,;17.91,-1.29,;16.58,-2.07,;15.25,-1.29,;11.25,-12.87,;7.25,-15.18,;7.25,-13.64,;5.92,-15.95,;4.57,-15.18,;4.57,-13.64,;3.23,-12.87,;1.9,-13.64,;.57,-12.87,;1.9,-15.18,;.56,-15.95,;3.23,-15.95,)|
Show InChI InChI=1S/C42H36Cl2N4O6S/c1-47(39(51)18-24-7-14-34(43)35(44)17-24)36(23-48-15-2-3-16-48)25-5-4-6-26(19-25)45-42(55)46-27-8-11-30(33(20-27)41(52)53)40-31-12-9-28(49)21-37(31)54-38-22-29(50)10-13-32(38)40/h4-14,17,19-22,36,49H,2-3,15-16,18,23H2,1H3,(H,52,53)(H2,45,46,55)
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8.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Opioid receptor kappa1 binding to guinea pig brain membranes, using 1 nM [3H]- U69,593 as radioligand


Bioorg Med Chem Lett 7: 2271-2276 (1997)


Article DOI: 10.1016/S0960-894X(97)00406-X
BindingDB Entry DOI: 10.7270/Q2GB242Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50290076
PNG
(CHEMBL558596 | N-[(S)-1-(3-Acetylamino-phenyl)-2-p...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(C)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C23H27Cl2N3O2/c1-16(29)26-19-7-5-6-18(14-19)22(15-28-10-3-4-11-28)27(2)23(30)13-17-8-9-20(24)21(25)12-17/h5-9,12,14,22H,3-4,10-11,13,15H2,1-2H3,(H,26,29)/t22-/m1/s1
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8.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Opioid receptor mu 1 binding to guinea pig brain membranes, using [3H]- DAMGO as radioligand


Bioorg Med Chem Lett 7: 2271-2276 (1997)


Article DOI: 10.1016/S0960-894X(97)00406-X
BindingDB Entry DOI: 10.7270/Q2GB242Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085029
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES CNc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:15:14:8:19.5.6,20:19:8:14.12.13|
Show InChI InChI=1S/C19H28N2/c1-13-18-10-15-6-7-16(20-3)11-17(15)19(13,2)8-9-21(18)12-14-4-5-14/h6-7,11,13-14,18,20H,4-5,8-10,12H2,1-3H3/t13-,18?,19-/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085026
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-(4-me...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCN(C)CC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C23H35N3/c1-17-22-14-19-6-7-20(25-12-10-24(3)11-13-25)15-21(19)23(17,2)8-9-26(22)16-18-4-5-18/h6-7,15,17-18,22H,4-5,8-14,16H2,1-3H3/t17-,22?,23-/m0/s1
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8.80n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50085023
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES C[C@H]1C2Cc3ccc(NCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:24:23:1:18.4.3,17:18:1:23.21.22|
Show InChI InChI=1S/C26H34N2/c1-19-25-16-22-10-11-23(27-14-12-20-6-4-3-5-7-20)17-24(22)26(19,2)13-15-28(25)18-21-8-9-21/h3-7,10-11,17,19,21,25,27H,8-9,12-16,18H2,1-2H3/t19-,25?,26-/m0/s1
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9n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor mu 1 obtained from guinea pig brain membranes using [3H]DAMGO as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50369586
PNG
(CHEMBL326516)
Show SMILES C[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3|
Show InChI InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23+,24-/m0/s1
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9.40n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor delta 1 obtained from guinea pig brain membranes using [3H]naltrindole as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085023
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES C[C@H]1C2Cc3ccc(NCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:24:23:1:18.4.3,17:18:1:23.21.22|
Show InChI InChI=1S/C26H34N2/c1-19-25-16-22-10-11-23(27-14-12-20-6-4-3-5-7-20)17-24(22)26(19,2)13-15-28(25)18-21-8-9-21/h3-7,10-11,17,19,21,25,27H,8-9,12-16,18H2,1-2H3/t19-,25?,26-/m0/s1
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11n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50085024
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17?,18-/m0/s1
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12n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor delta 1 obtained from guinea pig brain membranes using [3H]naltrindole as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50085029
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES CNc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:15:14:8:19.5.6,20:19:8:14.12.13|
Show InChI InChI=1S/C19H28N2/c1-13-18-10-15-6-7-16(20-3)11-17(15)19(13,2)8-9-21(18)12-14-4-5-14/h6-7,11,13-14,18,20H,4-5,8-10,12H2,1-3H3/t13-,18?,19-/m0/s1
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13n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor mu 1 obtained from guinea pig brain membranes using [3H]DAMGO as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50290076
PNG
(CHEMBL558596 | N-[(S)-1-(3-Acetylamino-phenyl)-2-p...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(C)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C23H27Cl2N3O2/c1-16(29)26-19-7-5-6-18(14-19)22(15-28-10-3-4-11-28)27(2)23(30)13-17-8-9-20(24)21(25)12-17/h5-9,12,14,22H,3-4,10-11,13,15H2,1-2H3,(H,26,29)/t22-/m1/s1
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Article
14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Opioid receptor delta 1 binding to guinea pig brain membranes, using 0.2 nM [3H]-naltrindole as radiolig...


Bioorg Med Chem Lett 7: 2271-2276 (1997)


Article DOI: 10.1016/S0960-894X(97)00406-X
BindingDB Entry DOI: 10.7270/Q2GB242Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50290074
PNG
(CHEMBL558597 | N-[(R)-1-(3-Amino-phenyl)-2-pyrroli...)
Show SMILES CN([C@@H](CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C21H25Cl2N3O/c1-25(21(27)12-15-7-8-18(22)19(23)11-15)20(14-26-9-2-3-10-26)16-5-4-6-17(24)13-16/h4-8,11,13,20H,2-3,9-10,12,14,24H2,1H3/t20-/m0/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Opioid receptor kappa1 binding to guinea pig brain membranes, using 1 nM [3H]- U69,593 as radioligand


Bioorg Med Chem Lett 7: 2271-2276 (1997)


Article DOI: 10.1016/S0960-894X(97)00406-X
BindingDB Entry DOI: 10.7270/Q2GB242Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50290075
PNG
(CHEMBL542403 | N-[(R)-1-(3-Acetylamino-phenyl)-2-p...)
Show SMILES CN([C@@H](CN1CCCC1)c1cccc(NC(C)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C23H27Cl2N3O2/c1-16(29)26-19-7-5-6-18(14-19)22(15-28-10-3-4-11-28)27(2)23(30)13-17-8-9-20(24)21(25)12-17/h5-9,12,14,22H,3-4,10-11,13,15H2,1-2H3,(H,26,29)/t22-/m0/s1
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Opioid receptor kappa1 binding to guinea pig brain membranes, using 1 nM [3H]- U69,593 as radioligand


Bioorg Med Chem Lett 7: 2271-2276 (1997)


Article DOI: 10.1016/S0960-894X(97)00406-X
BindingDB Entry DOI: 10.7270/Q2GB242Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50085028
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES CCNc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:16:15:9:20.6.7,21:20:9:15.13.14|
Show InChI InChI=1S/C20H30N2/c1-4-21-17-8-7-16-11-19-14(2)20(3,18(16)12-17)9-10-22(19)13-15-5-6-15/h7-8,12,14-15,19,21H,4-6,9-11,13H2,1-3H3/t14-,19?,20-/m0/s1
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19n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor delta 1 obtained from guinea pig brain membranes using [3H]naltrindole as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50085026
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-(4-me...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCN(C)CC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C23H35N3/c1-17-22-14-19-6-7-20(25-12-10-24(3)11-13-25)15-21(19)23(17,2)8-9-26(22)16-18-4-5-18/h6-7,15,17-18,22H,4-5,8-14,16H2,1-3H3/t17-,22?,23-/m0/s1
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21n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor mu 1 obtained from guinea pig brain membranes using [3H]DAMGO as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085022
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N(C)C |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C20H30N2/c1-14-19-11-16-7-8-17(21(3)4)12-18(16)20(14,2)9-10-22(19)13-15-5-6-15/h7-8,12,14-15,19H,5-6,9-11,13H2,1-4H3/t14-,19?,20-/m0/s1
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33n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085030
PNG
(Benzyl-((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N(C)Cc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C26H34N2/c1-19-25-15-22-11-12-23(27(3)17-20-7-5-4-6-8-20)16-24(22)26(19,2)13-14-28(25)18-21-9-10-21/h4-8,11-12,16,19,21,25H,9-10,13-15,17-18H2,1-3H3/t19-,25?,26-/m0/s1
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44n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50085021
PNG
(Benzyl-((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl...)
Show SMILES C[C@H]1C2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
Show InChI InChI=1S/C25H32N2/c1-18-24-14-21-10-11-22(26-16-19-6-4-3-5-7-19)15-23(21)25(18,2)12-13-27(24)17-20-8-9-20/h3-7,10-11,15,18,20,24,26H,8-9,12-14,16-17H2,1-2H3/t18-,24?,25-/m0/s1
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54n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor delta 1 obtained from guinea pig brain membranes using [3H]naltrindole as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50085030
PNG
(Benzyl-((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N(C)Cc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C26H34N2/c1-19-25-15-22-11-12-23(27(3)17-20-7-5-4-6-8-20)16-24(22)26(19,2)13-14-28(25)18-21-9-10-21/h4-8,11-12,16,19,21,25H,9-10,13-15,17-18H2,1-3H3/t19-,25?,26-/m0/s1
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56n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor mu 1 obtained from guinea pig brain membranes using [3H]DAMGO as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50085021
PNG
(Benzyl-((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl...)
Show SMILES C[C@H]1C2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
Show InChI InChI=1S/C25H32N2/c1-18-24-14-21-10-11-22(26-16-19-6-4-3-5-7-19)15-23(21)25(18,2)12-13-27(24)17-20-8-9-20/h3-7,10-11,15,18,20,24,26H,8-9,12-14,16-17H2,1-2H3/t18-,24?,25-/m0/s1
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57n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor delta 1 obtained from guinea pig brain membranes using [3H]naltrindole as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001040
PNG
(6,11-Dimethyl-3-(3-methyl-butyl)-1,2,3,4,5,6-hexah...)
Show SMILES [H][C@@]12Cc3ccc(O)cc3[C@@](C)(CN1CC1CC1)[C@@H]2C |r,TLB:19:18:12.13:9.3.2|
Show InChI InChI=1S/C17H23NO/c1-11-16-7-13-5-6-14(19)8-15(13)17(11,2)10-18(16)9-12-3-4-12/h5-6,8,11-12,16,19H,3-4,7,9-10H2,1-2H3/t11-,16+,17+/m1/s1
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76n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085031
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES CC(C)Nc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:17:16:10:21.7.8,22:21:10:16.14.15|
Show InChI InChI=1S/C21H32N2/c1-14(2)22-18-8-7-17-11-20-15(3)21(4,19(17)12-18)9-10-23(20)13-16-5-6-16/h7-8,12,14-16,20,22H,5-6,9-11,13H2,1-4H3/t15-,20?,21-/m0/s1
PDB

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PubMed
78n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair
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