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PubMed code 12502358

Compile data set for download or QSAR
Found 126 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-type opioid receptor


(Homo sapiens (Human))
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-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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n/an/a 0.570n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122542
PNG
(17-cyclopropylmethyl-16-methyl-17-azatetracyclo[7....)
Show SMILES C[C@@H]1[C@@H]2C3=CC(=O)CC[C@H]3[C@H](Cc3ccc(O)cc23)N1CC1CC1 |wU:2.2,10.21,9.8,1.0,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:13:12:19.1:3.9,20:19:3.9:18.12.11,8:9:19.1:18.12.11,(9.83,-1.73,;8.73,-2.83,;4.91,-1.57,;4.91,-.02,;4.91,1.53,;6.24,2.3,;6.24,3.84,;7.57,1.53,;7.57,-.02,;6.24,-.79,;6.45,-4.65,;4.91,-4.65,;3.58,-3.88,;2.25,-4.65,;.91,-3.88,;.91,-2.34,;-.44,-1.55,;2.25,-1.57,;3.58,-2.34,;7.89,-4.11,;8.85,-5.3,;8.29,-6.75,;7.09,-7.7,;8.52,-8.27,)|
Show InChI InChI=1S/C21H25NO2/c1-12-21-18-9-15(23)5-4-14(18)8-20(22(12)11-13-2-3-13)17-7-6-16(24)10-19(17)21/h4-5,9-10,12-13,17,20-21,23H,2-3,6-8,11H2,1H3/t12-,17-,20+,21+/m1/s1
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n/an/a 6.40n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122549
PNG
(4N,13N-dibenzyl-17-cyclopropylmethyl-16-methyl-17-...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1CC1CC1)=NCc1ccccc1 |w:30.36,wU:2.2,9.28,8.7,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:12:11:25.1:3.8,26:25:3.8:24.11.10,7:8:25.1:24.11.10,(11.14,-1.71,;10.05,-2.81,;6.2,-1.55,;6.2,,;6.2,1.56,;7.54,2.33,;8.88,1.56,;8.88,,;7.54,-.77,;7.76,-4.64,;6.2,-4.64,;4.87,-3.87,;3.54,-4.64,;2.21,-3.87,;2.21,-2.32,;.85,-1.53,;-.49,-2.29,;-.49,-3.83,;-1.84,-4.59,;-1.84,-6.13,;-.51,-6.9,;.83,-6.13,;.83,-4.59,;3.54,-1.55,;4.87,-2.32,;9.2,-4.09,;10.15,-5.29,;9.59,-6.73,;8.4,-7.69,;9.84,-8.25,;7.54,3.87,;6.2,4.64,;4.87,3.87,;3.55,4.64,;2.23,3.9,;2.23,2.35,;3.56,1.59,;4.87,2.36,)|
Show InChI InChI=1S/C35H39N3/c1-24-35-32-19-29(36-21-25-8-4-2-5-9-25)15-14-28(32)18-34(38(24)23-27-12-13-27)31-17-16-30(20-33(31)35)37-22-26-10-6-3-7-11-26/h2-11,14-15,19-20,24,27,31,34-36H,12-13,16-18,21-23H2,1H3/t24-,31-,34+,35+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122523
PNG
(4N,13N-dibenzyl-16,17-dimethyl-17-azatetracyclo[7....)
Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1C)=NCc1ccccc1 |w:27.32,wU:2.2,9.28,8.8,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:26:25:3.8:24.11.10,7:8:25.1:24.11.10,12:11:25.1:3.8,(11.14,-2.39,;10.05,-3.49,;6.2,-2.23,;6.2,-.68,;6.2,.88,;7.54,1.65,;8.88,.88,;8.88,-.68,;7.54,-1.45,;7.76,-5.32,;6.2,-5.32,;4.87,-4.54,;3.54,-5.32,;2.21,-4.54,;2.21,-3,;.85,-2.21,;-.49,-2.97,;-.49,-4.51,;-1.84,-5.27,;-1.84,-6.8,;-.51,-7.58,;.83,-6.8,;.83,-5.27,;3.54,-2.23,;4.87,-3,;9.2,-4.77,;10.16,-5.97,;7.54,3.2,;6.2,3.97,;4.87,3.2,;4.87,1.68,;3.56,.91,;2.23,1.68,;2.23,3.2,;3.55,3.97,)|
Show InChI InChI=1S/C32H35N3/c1-22-32-29-18-26(33-20-23-9-5-3-6-10-23)14-13-25(29)17-31(35(22)2)28-16-15-27(19-30(28)32)34-21-24-11-7-4-8-12-24/h3-14,18-19,22,28,31-33H,15-17,20-21H2,1-2H3/t22-,28-,31+,32+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122548
PNG
(16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(=O)CC[C@H]3[C@H](Cc3ccc(O)cc23)N1C |wU:2.2,10.21,9.9,1.0,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:20:19:3.9:18.12.11,8:9:19.1:18.12.11,13:12:19.1:3.9,(9.83,-3.2,;8.73,-4.3,;4.91,-3.04,;4.91,-1.5,;4.91,.05,;6.24,.82,;6.24,2.36,;7.57,.05,;7.57,-1.5,;6.24,-2.27,;6.45,-6.14,;4.91,-6.14,;3.58,-5.37,;2.25,-6.14,;.91,-5.37,;.91,-3.83,;-.44,-3.03,;2.25,-3.04,;3.58,-3.81,;7.89,-5.58,;8.85,-6.79,)|
Show InChI InChI=1S/C18H21NO2/c1-10-18-15-8-12(20)4-3-11(15)7-17(19(10)2)14-6-5-13(21)9-16(14)18/h3-4,8-10,14,17-18,20H,5-7H2,1-2H3/t10-,14-,17+,18+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122549
PNG
(4N,13N-dibenzyl-17-cyclopropylmethyl-16-methyl-17-...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1CC1CC1)=NCc1ccccc1 |w:30.36,wU:2.2,9.28,8.7,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:12:11:25.1:3.8,26:25:3.8:24.11.10,7:8:25.1:24.11.10,(11.14,-1.71,;10.05,-2.81,;6.2,-1.55,;6.2,,;6.2,1.56,;7.54,2.33,;8.88,1.56,;8.88,,;7.54,-.77,;7.76,-4.64,;6.2,-4.64,;4.87,-3.87,;3.54,-4.64,;2.21,-3.87,;2.21,-2.32,;.85,-1.53,;-.49,-2.29,;-.49,-3.83,;-1.84,-4.59,;-1.84,-6.13,;-.51,-6.9,;.83,-6.13,;.83,-4.59,;3.54,-1.55,;4.87,-2.32,;9.2,-4.09,;10.15,-5.29,;9.59,-6.73,;8.4,-7.69,;9.84,-8.25,;7.54,3.87,;6.2,4.64,;4.87,3.87,;3.55,4.64,;2.23,3.9,;2.23,2.35,;3.56,1.59,;4.87,2.36,)|
Show InChI InChI=1S/C35H39N3/c1-24-35-32-19-29(36-21-25-8-4-2-5-9-25)15-14-28(32)18-34(38(24)23-27-12-13-27)31-17-16-30(20-33(31)35)37-22-26-10-6-3-7-11-26/h2-11,14-15,19-20,24,27,31,34-36H,12-13,16-18,21-23H2,1H3/t24-,31-,34+,35+/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122526
PNG
(17-cyclopropylmethyl-16-methyl-13-methylcarbonylox...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(OC(C)=O)=CC[C@H]3[C@H](Cc3ccc(OC(C)=O)cc23)N1CC1CC1 |wU:2.2,13.27,12.11,1.0,c:9,t:3,TLB:0:1:3.12:24.15.14,23:24:25.1:3.12,THB:16:15:25.1:3.12,26:25:3.12:24.15.14,11:12:25.1:24.15.14,(10.46,-2.45,;9.36,-3.55,;5.54,-2.29,;5.54,-.73,;5.54,.81,;6.87,1.58,;6.87,3.12,;8.2,3.9,;8.2,5.44,;9.53,3.13,;8.2,.81,;8.2,-.73,;6.87,-1.5,;7.08,-5.37,;5.54,-5.37,;4.21,-4.6,;2.88,-5.37,;1.54,-4.6,;1.54,-3.06,;.19,-2.27,;.19,-.73,;1.54,.04,;-1.14,.06,;2.88,-2.29,;4.21,-3.06,;8.52,-4.81,;9.48,-6.03,;8.92,-7.47,;7.72,-8.41,;9.15,-8.98,)|
Show InChI InChI=1S/C25H29NO4/c1-14-25-22-11-19(29-15(2)27)7-6-18(22)10-24(26(14)13-17-4-5-17)21-9-8-20(12-23(21)25)30-16(3)28/h6-8,11-12,14,17,21,24-25H,4-5,9-10,13H2,1-3H3/t14-,21-,24+,25+/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122549
PNG
(4N,13N-dibenzyl-17-cyclopropylmethyl-16-methyl-17-...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1CC1CC1)=NCc1ccccc1 |w:30.36,wU:2.2,9.28,8.7,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:12:11:25.1:3.8,26:25:3.8:24.11.10,7:8:25.1:24.11.10,(11.14,-1.71,;10.05,-2.81,;6.2,-1.55,;6.2,,;6.2,1.56,;7.54,2.33,;8.88,1.56,;8.88,,;7.54,-.77,;7.76,-4.64,;6.2,-4.64,;4.87,-3.87,;3.54,-4.64,;2.21,-3.87,;2.21,-2.32,;.85,-1.53,;-.49,-2.29,;-.49,-3.83,;-1.84,-4.59,;-1.84,-6.13,;-.51,-6.9,;.83,-6.13,;.83,-4.59,;3.54,-1.55,;4.87,-2.32,;9.2,-4.09,;10.15,-5.29,;9.59,-6.73,;8.4,-7.69,;9.84,-8.25,;7.54,3.87,;6.2,4.64,;4.87,3.87,;3.55,4.64,;2.23,3.9,;2.23,2.35,;3.56,1.59,;4.87,2.36,)|
Show InChI InChI=1S/C35H39N3/c1-24-35-32-19-29(36-21-25-8-4-2-5-9-25)15-14-28(32)18-34(38(24)23-27-12-13-27)31-17-16-30(20-33(31)35)37-22-26-10-6-3-7-11-26/h2-11,14-15,19-20,24,27,31,34-36H,12-13,16-18,21-23H2,1H3/t24-,31-,34+,35+/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122540
PNG
(16,17-dimethyl-4,13-di(4-methylhexahydro-1-pyrazin...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCN(C)CC2)N1C)N1CCN(C)CC1 |wU:2.2,9.27,8.8,1.0,c:5,t:3,TLB:15:16:24.1:3.8,0:1:3.8:16.11.10,THB:7:8:24.1:16.11.10,12:11:24.1:3.8,25:24:3.8:16.11.10,(13.17,-7.29,;12.07,-8.38,;8.24,-7.12,;8.24,-5.56,;8.24,-4.02,;9.57,-3.25,;10.9,-4.02,;10.9,-5.56,;9.57,-6.33,;9.78,-10.2,;8.24,-10.2,;6.91,-9.43,;5.58,-10.2,;4.25,-9.43,;4.25,-7.89,;5.58,-7.12,;6.91,-7.89,;2.9,-7.1,;2.9,-5.54,;1.57,-4.76,;.21,-5.51,;-1.11,-4.74,;.19,-7.08,;1.55,-7.87,;11.23,-9.64,;12.19,-10.86,;9.57,-1.71,;10.9,-.94,;10.9,.58,;9.57,1.37,;9.59,2.91,;8.24,.6,;8.24,-.94,)|
Show InChI InChI=1S/C28H41N5/c1-20-28-25-18-22(32-13-9-29(2)10-14-32)6-5-21(25)17-27(31(20)4)24-8-7-23(19-26(24)28)33-15-11-30(3)12-16-33/h5-7,18-20,24,27-28H,8-17H2,1-4H3/t20-,24-,27+,28+/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122541
PNG
(4N,13N-diphenyl-16,17-dimethyl-(16R)-17-azatetracy...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(Nc4ccccc4)cc23)N1C)=Nc1ccccc1 |w:26.31,wU:2.2,9.27,8.8,1.0,t:3,TLB:0:1:3.8:23.11.10,22:23:24.1:3.8,THB:12:11:24.1:3.8,25:24:3.8:23.11.10,7:8:24.1:23.11.10,(11.76,-4.31,;10.67,-5.4,;6.84,-4.14,;6.84,-2.59,;6.84,-1.06,;8.17,-.29,;9.51,-1.06,;9.51,-2.59,;8.17,-3.36,;8.39,-7.22,;6.84,-7.22,;5.52,-6.46,;4.19,-7.22,;2.85,-6.46,;2.85,-4.91,;1.51,-4.13,;.17,-4.87,;-1.16,-4.1,;-2.48,-4.85,;-2.49,-6.4,;-1.16,-7.18,;.17,-6.41,;4.19,-4.14,;5.52,-4.91,;9.82,-6.67,;10.78,-7.87,;8.17,1.25,;6.83,2.02,;5.52,1.26,;4.19,2.02,;4.17,3.56,;5.52,4.35,;6.84,3.58,)|
Show InChI InChI=1S/C30H31N3/c1-20-30-27-18-24(31-22-9-5-3-6-10-22)14-13-21(27)17-29(33(20)2)26-16-15-25(19-28(26)30)32-23-11-7-4-8-12-23/h3-14,18-20,26,29-31H,15-17H2,1-2H3/t20-,26-,29+,30+/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122532
PNG
(20-azapentacyclo[7.6.5.02,7.010,15.016,20]icosa-2(...)
Show SMILES C1C[C@H]2[C@@H]3C4=CC=CC[C@H]4[C@H](Cc4ccccc34)N2C1 |wU:10.20,3.3,9.9,2.21,c:6,t:4,TLB:16:17:18.2:4.9,THB:13:12:18.2:4.9,19:18:4.9:17.11.12,1:2:4.9:17.11.12,8:9:18.2:17.11.12,(8.93,-5.62,;9.33,-4.14,;8.05,-3.29,;3.86,-1.71,;3.86,-.17,;3.86,1.38,;5.19,2.15,;6.53,1.38,;6.53,-.17,;5.19,-.94,;5.41,-4.81,;3.86,-4.81,;2.53,-4.04,;1.2,-4.81,;-.14,-4.04,;-.14,-2.5,;1.2,-1.71,;2.53,-2.48,;6.85,-4.26,;7.41,-5.7,)|
Show InChI InChI=1S/C19H21N/c1-2-7-14-13(6-1)12-18-15-8-3-4-9-16(15)19(14)17-10-5-11-20(17)18/h1-4,6-7,9,15,17-19H,5,8,10-12H2/t15-,17+,18+,19+/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122550
PNG
(4N,13N-diphenyl-17-cyclopropylmethyl-16-methyl-(9S...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(Nc4ccccc4)cc23)N1CC1CC1)=Nc1ccccc1 |w:29.35,wU:2.2,9.27,8.7,1.0,t:3,TLB:0:1:3.8:23.11.10,22:23:24.1:3.8,THB:12:11:24.1:3.8,25:24:3.8:23.11.10,7:8:24.1:23.11.10,(11.78,-2.83,;10.69,-3.93,;6.86,-2.67,;6.86,-1.13,;6.86,.42,;8.19,1.19,;9.53,.42,;9.53,-1.13,;8.19,-1.9,;8.41,-5.76,;6.86,-5.76,;5.53,-4.99,;4.2,-5.76,;2.85,-4.99,;2.85,-3.45,;1.52,-2.66,;.17,-3.41,;-1.16,-2.64,;-2.49,-3.39,;-2.5,-4.93,;-1.17,-5.72,;.17,-4.95,;4.2,-2.67,;5.53,-3.44,;9.85,-5.21,;10.8,-6.4,;10.24,-7.85,;9.05,-8.8,;10.48,-9.36,;8.19,2.73,;6.84,3.5,;6.86,5.06,;5.53,5.83,;4.18,5.06,;4.2,3.5,;5.53,2.75,)|
Show InChI InChI=1S/C33H35N3/c1-22-33-30-19-27(34-25-8-4-2-5-9-25)15-14-24(30)18-32(36(22)21-23-12-13-23)29-17-16-28(20-31(29)33)35-26-10-6-3-7-11-26/h2-11,14-15,19-20,22-23,29,32-34H,12-13,16-18,21H2,1H3/t22-,29-,32+,33+/m1/s1
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n/an/a 82n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122544
PNG
(4,13-difluoro-20-azapentacyclo[7.6.5.02,7.010,15.0...)
Show SMILES FC1=CC[C@H]2[C@@H]3Cc4ccc(F)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:5.20,14.22,4.23,15.21,c:24,t:1,TLB:16:15:20.4:13.7.6,8:7:19.15:20.4,18:19:20.4:13.7.6,THB:3:4:19.15:13.7.6,12:13:19.15:20.4,(5.72,2.88,;5.73,1.34,;7.07,.57,;7.07,-.96,;5.73,-1.73,;5.95,-5.6,;4.4,-5.6,;3.08,-4.83,;1.75,-5.6,;.4,-4.83,;.4,-3.29,;-.69,-2.19,;1.75,-2.52,;3.08,-3.29,;4.4,-2.52,;8.58,-4.09,;9.87,-4.92,;9.47,-6.41,;7.93,-6.49,;7.39,-5.04,;4.4,-.96,;4.4,.57,)|
Show InChI InChI=1S/C19H19F2N/c20-12-4-3-11-8-18-14-6-5-13(21)10-16(14)19(15(11)9-12)17-2-1-7-22(17)18/h3-5,9-10,14,17-19H,1-2,6-8H2/t14-,17+,18+,19+/m1/s1
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n/an/a 103n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50019351
PNG
((-)-Codeine | (Codeine) | (codeine)10-methoxy-4-me...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C |r,c:9|
Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
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n/an/a 105n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122536
PNG
(4N,13N-di(4-bromobenzyl)-20-azapentacyclo[7.6.5.02...)
Show SMILES Brc1ccc(CNc2ccc3C[C@H]4[C@@H]5CCC(C=C5[C@@H]([C@@H]5CCCN45)c3c2)=NCc2ccc(Br)cc2)cc1 |w:27.32,wU:12.25,19.19,13.18,20.26,c:17,TLB:14:13:24.20:25.10.11,26:25:24.20:18.13,THB:21:20:18.13:25.10.11,23:24:18.13:25.10.11,9:10:24.20:18.13,(-1.25,-5.22,;.08,-5.99,;.08,-7.55,;1.41,-8.31,;2.74,-7.54,;4.08,-8.31,;4.08,-9.87,;5.42,-10.64,;5.42,-12.19,;6.77,-12.96,;8.1,-12.19,;9.43,-12.96,;10.97,-12.96,;10.76,-9.08,;12.1,-8.31,;12.1,-6.77,;10.76,-5.99,;9.43,-6.77,;9.43,-8.31,;9.43,-9.87,;13.62,-11.44,;14.9,-12.28,;14.5,-13.77,;12.98,-13.85,;12.42,-12.4,;8.1,-10.64,;6.77,-9.87,;10.76,-4.45,;12.09,-3.68,;12.09,-2.14,;13.43,-1.36,;13.43,.18,;12.1,.95,;12.1,2.49,;10.76,.16,;10.76,-1.36,;2.74,-6.01,;1.41,-5.24,)|
Show InChI InChI=1S/C33H33Br2N3/c34-24-8-3-21(4-9-24)19-36-26-12-7-23-16-32-28-14-13-27(37-20-22-5-10-25(35)11-6-22)18-30(28)33(29(23)17-26)31-2-1-15-38(31)32/h3-12,17-18,28,31-33,36H,1-2,13-16,19-20H2/t28-,31+,32+,33+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122523
PNG
(4N,13N-dibenzyl-16,17-dimethyl-17-azatetracyclo[7....)
Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1C)=NCc1ccccc1 |w:27.32,wU:2.2,9.28,8.8,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:26:25:3.8:24.11.10,7:8:25.1:24.11.10,12:11:25.1:3.8,(11.14,-2.39,;10.05,-3.49,;6.2,-2.23,;6.2,-.68,;6.2,.88,;7.54,1.65,;8.88,.88,;8.88,-.68,;7.54,-1.45,;7.76,-5.32,;6.2,-5.32,;4.87,-4.54,;3.54,-5.32,;2.21,-4.54,;2.21,-3,;.85,-2.21,;-.49,-2.97,;-.49,-4.51,;-1.84,-5.27,;-1.84,-6.8,;-.51,-7.58,;.83,-6.8,;.83,-5.27,;3.54,-2.23,;4.87,-3,;9.2,-4.77,;10.16,-5.97,;7.54,3.2,;6.2,3.97,;4.87,3.2,;4.87,1.68,;3.56,.91,;2.23,1.68,;2.23,3.2,;3.55,3.97,)|
Show InChI InChI=1S/C32H35N3/c1-22-32-29-18-26(33-20-23-9-5-3-6-10-23)14-13-25(29)17-31(35(22)2)28-16-15-27(19-30(28)32)34-21-24-11-7-4-8-12-24/h3-14,18-19,22,28,31-33H,15-17,20-21H2,1-2H3/t22-,28-,31+,32+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122531
PNG
(20-azapentacyclo[7.6.5.02,7.010,15.016,20]icosa-2(...)
Show SMILES Oc1ccc2C[C@H]3[C@@H]4CCC(=O)C=C4[C@@H]([C@@H]4CCCN34)c2c1 |wU:6.20,14.14,7.13,15.21,c:12,TLB:8:7:19.15:20.4.5,21:20:19.15:13.7,THB:16:15:13.7:20.4.5,3:4:19.15:13.7,18:19:13.7:20.4.5,(-.13,-2.89,;1.2,-3.66,;1.2,-5.2,;2.54,-5.97,;3.85,-5.2,;5.19,-5.97,;6.74,-5.97,;6.52,-2.12,;7.85,-1.35,;7.85,.2,;6.52,.97,;6.5,2.51,;5.19,.2,;5.19,-1.35,;5.19,-2.89,;9.37,-4.45,;10.65,-5.31,;10.25,-6.78,;8.71,-6.85,;8.17,-5.42,;3.85,-3.66,;2.54,-2.89,)|
Show InChI InChI=1S/C19H21NO2/c21-12-4-3-11-8-18-14-6-5-13(22)10-16(14)19(15(11)9-12)17-2-1-7-20(17)18/h3-4,9-10,14,17-19,21H,1-2,5-8H2/t14-,17+,18+,19+/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
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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n/an/a 150n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122539
PNG
(4,13-dimethoxy-20-azapentacyclo[7.6.5.02,7.010,15....)
Show SMILES COC1=CC[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:6.22,16.24,5.25,17.23,c:26,t:2,TLB:18:17:22.5:15.8.7,9:8:21.17:22.5,20:21:22.5:15.8.7,THB:4:5:21.17:15.8.7,14:15:21.17:22.5,(9.96,-3.75,;11.28,-4.52,;11.28,-6.06,;12.63,-6.83,;12.63,-8.37,;11.28,-9.14,;11.51,-13,;9.96,-13,;8.63,-12.23,;7.3,-13,;5.96,-12.23,;5.96,-10.69,;4.62,-9.93,;3.29,-10.7,;7.3,-9.91,;8.63,-10.68,;9.96,-9.91,;14.14,-11.49,;15.42,-12.33,;15.03,-13.8,;13.49,-13.89,;12.94,-12.45,;9.96,-8.37,;9.96,-6.83,)|
Show InChI InChI=1S/C21H25NO2/c1-23-14-6-5-13-10-20-16-8-7-15(24-2)12-18(16)21(17(13)11-14)19-4-3-9-22(19)20/h5-7,11-12,16,19-21H,3-4,8-10H2,1-2H3/t16-,19+,20+,21+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122519
PNG
(16,17-dimethyl-13-methylcarbonyloxy-17-azatetracyc...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(OC(C)=O)=CC[C@H]3[C@H](Cc3ccc(OC(C)=O)cc23)N1C |wU:2.2,13.27,12.12,1.0,c:9,t:3,TLB:0:1:3.12:24.15.14,23:24:25.1:3.12,THB:16:15:25.1:3.12,26:25:3.12:24.15.14,11:12:25.1:24.15.14,(10.46,-3.93,;9.36,-5.02,;5.54,-3.76,;5.54,-2.22,;5.54,-.66,;6.87,.11,;6.87,1.65,;8.2,2.42,;8.2,3.96,;9.53,1.65,;8.2,-.66,;8.2,-2.22,;6.87,-2.99,;7.08,-6.84,;5.54,-6.84,;4.21,-6.07,;2.88,-6.84,;1.54,-6.07,;1.54,-4.53,;.19,-3.74,;.19,-2.2,;1.54,-1.45,;-1.14,-1.42,;2.88,-3.76,;4.21,-4.53,;8.52,-6.3,;9.48,-7.5,)|
Show InChI InChI=1S/C22H25NO4/c1-12-22-19-10-16(26-13(2)24)6-5-15(19)9-21(23(12)4)18-8-7-17(11-20(18)22)27-14(3)25/h5-7,10-12,18,21-22H,8-9H2,1-4H3/t12-,18-,21+,22+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122542
PNG
(17-cyclopropylmethyl-16-methyl-17-azatetracyclo[7....)
Show SMILES C[C@@H]1[C@@H]2C3=CC(=O)CC[C@H]3[C@H](Cc3ccc(O)cc23)N1CC1CC1 |wU:2.2,10.21,9.8,1.0,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:13:12:19.1:3.9,20:19:3.9:18.12.11,8:9:19.1:18.12.11,(9.83,-1.73,;8.73,-2.83,;4.91,-1.57,;4.91,-.02,;4.91,1.53,;6.24,2.3,;6.24,3.84,;7.57,1.53,;7.57,-.02,;6.24,-.79,;6.45,-4.65,;4.91,-4.65,;3.58,-3.88,;2.25,-4.65,;.91,-3.88,;.91,-2.34,;-.44,-1.55,;2.25,-1.57,;3.58,-2.34,;7.89,-4.11,;8.85,-5.3,;8.29,-6.75,;7.09,-7.7,;8.52,-8.27,)|
Show InChI InChI=1S/C21H25NO2/c1-12-21-18-9-15(23)5-4-14(18)8-20(22(12)11-13-2-3-13)17-7-6-16(24)10-19(17)21/h4-5,9-10,12-13,17,20-21,23H,2-3,6-8,11H2,1H3/t12-,17-,20+,21+/m1/s1
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n/an/a 204n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122554
PNG
(13-methylcarbonyloxy-20-azapentacyclo[7.6.5.02,7.0...)
Show SMILES CC(=O)OC1=CC[C@H]2[C@@H]3Cc4ccc(OC(C)=O)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:8.26,20.28,7.29,21.27,c:30,t:4,TLB:11:10:25.21:26.7,24:25:26.7:19.10.9,22:21:26.7:19.10.9,THB:6:7:25.21:19.10.9,18:19:25.21:26.7,(6.54,5.97,;6.54,4.43,;7.87,3.66,;5.21,3.66,;5.21,2.12,;6.56,1.35,;6.56,-.19,;5.21,-.96,;5.44,-4.84,;3.88,-4.84,;2.55,-4.07,;1.22,-4.84,;-.11,-4.07,;-.11,-2.52,;-1.45,-1.75,;-1.45,-.21,;-2.79,.58,;-.12,.56,;1.22,-1.75,;2.55,-2.52,;3.88,-1.75,;8.07,-3.32,;9.36,-4.16,;8.96,-5.65,;7.43,-5.72,;6.87,-4.28,;3.88,-.19,;3.88,1.35,)|
Show InChI InChI=1S/C23H25NO4/c1-13(25)27-16-6-5-15-10-22-18-8-7-17(28-14(2)26)12-20(18)23(19(15)11-16)21-4-3-9-24(21)22/h5-7,11-12,18,21-23H,3-4,8-10H2,1-2H3/t18-,21+,22+,23+/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122527
PNG
(16,17-dimethyl-(16S)-17-azatetracyclo[7.6.2.02,7.0...)
Show SMILES C[C@H]1C2C3=CC=CC[C@@H]3[C@@H](Cc3ccccc23)N1C |c:5,t:3,TLB:18:17:3.8:16.10.11,0:1:3.8:16.10.11|
Show InChI InChI=1S/C18H21N/c1-12-18-14-8-4-3-7-13(14)11-17(19(12)2)15-9-5-6-10-16(15)18/h3-8,10,12,15,17-18H,9,11H2,1-2H3/t12-,15?,17+,18?/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122535
PNG
(4,13-dibromo-16,17-dimethyl-17-azatetracyclo[7.6.2...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(Br)=CC[C@H]3[C@H](Cc3ccc(Br)cc23)N1C |wU:2.2,10.21,9.9,1.0,c:6,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:20:19:3.9:18.12.11,8:9:19.1:18.12.11,13:12:19.1:3.9,(10.16,-3.34,;8.73,-3.89,;4.99,-2.64,;4.97,-1.1,;4.97,.44,;6.3,1.2,;6.3,2.74,;7.63,.44,;7.65,-1.1,;6.3,-1.87,;6.54,-5.74,;5,-5.74,;3.66,-4.97,;2.32,-5.74,;.99,-4.97,;.99,-3.43,;-.34,-2.66,;2.32,-2.66,;3.66,-3.43,;7.97,-5.23,;8.96,-6.4,)|
Show InChI InChI=1S/C18H19Br2N/c1-10-18-15-8-12(19)4-3-11(15)7-17(21(10)2)14-6-5-13(20)9-16(14)18/h3-5,8-10,14,17-18H,6-7H2,1-2H3/t10-,14-,17+,18+/m1/s1
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n/an/a 360n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122551
PNG
(21-azapentacyclo[7.6.6.02,7.010,15.016,21]henicosa...)
Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(C3=CC=CCC13)[C@]1([H])CCCCN21 |r,wU:9.10,wD:17.20,1.0,c:14,t:12,TLB:22:23:11.16:8.2.3,7:8:23.17:11.16,THB:4:3:23.17:11.16,12:11:23.17:8.2.3,15:16:23.17:8.2.3,19:17:11.16:8.2.3,(3.03,-4.16,;3.51,-5.96,;4.65,-4.68,;5.71,-5.37,;7.19,-5.8,;8.3,-4.73,;7.92,-3.23,;6.44,-2.81,;5.34,-3.88,;3.83,-3.21,;3.92,-5.08,;3.76,-1.71,;2.95,-.4,;1.41,-.45,;.68,-1.8,;1.8,-3.42,;3.03,-3.06,;2.44,-3.99,;2.65,-2.14,;1.29,-2.97,;-.17,-3.45,;-.48,-4.96,;.67,-5.99,;2.13,-5.5,)|
Show InChI InChI=1S/C20H23N/c1-2-8-15-14(7-1)13-19-16-9-3-4-10-17(16)20(15)18-11-5-6-12-21(18)19/h1-4,7-8,10,16,18-20H,5-6,9,11-13H2/t16-,18?,19+,20+/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122517
PNG
(16-methyl-(16S)-17-azatetracyclo[7.6.2.02,7.010,15...)
Show SMILES [H][C@@]1(C)N(CO)[C@]2([H])Cc3ccccc3[C@]1([H])C1=CC=CC[C@]21[H] |c:21,t:19,TLB:13:14:3.1:17.22,THB:10:9:3.1:17.22,18:17:3.1:14.8.9,4:3:17.22:14.8.9,2:1:17.22:14.8.9|
Show InChI InChI=1S/C18H21NO/c1-12-18-14-7-3-2-6-13(14)10-17(19(12)11-20)15-8-4-5-9-16(15)18/h2-7,9,12,15,17-18,20H,8,10-11H2,1H3/t12-,15-,17+,18?/m0/s1
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n/an/a 404n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122553
PNG
(4,13-dimethoxy-16,17-dimethyl-17-azatetracyclo[7.6...)
Show SMILES COC1=CC[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@H]([C@@H](C)N3C)C2=C1 |wU:16.22,6.20,5.23,17.18,c:24,t:2,TLB:9:8:19.17:21.5,20:19:21.5:15.8.7,THB:18:17:21.5:15.8.7,4:5:19.17:15.8.7,14:15:19.17:21.5,(4.9,3.17,;6.24,2.4,;6.24,.86,;7.57,.09,;7.57,-1.47,;6.24,-2.24,;6.45,-6.1,;4.91,-6.1,;3.58,-5.33,;2.25,-6.1,;.91,-5.33,;.91,-3.79,;-.44,-2.99,;-.44,-1.45,;2.25,-3.02,;3.58,-3.79,;4.91,-3.02,;8.73,-4.28,;9.83,-3.18,;7.89,-5.55,;8.85,-6.75,;4.91,-1.47,;4.91,.09,)|
Show InChI InChI=1S/C20H25NO2/c1-12-20-17-10-14(22-3)6-5-13(17)9-19(21(12)2)16-8-7-15(23-4)11-18(16)20/h5-7,10-12,16,19-20H,8-9H2,1-4H3/t12-,16-,19+,20+/m1/s1
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n/an/a 420n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122542
PNG
(17-cyclopropylmethyl-16-methyl-17-azatetracyclo[7....)
Show SMILES C[C@@H]1[C@@H]2C3=CC(=O)CC[C@H]3[C@H](Cc3ccc(O)cc23)N1CC1CC1 |wU:2.2,10.21,9.8,1.0,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:13:12:19.1:3.9,20:19:3.9:18.12.11,8:9:19.1:18.12.11,(9.83,-1.73,;8.73,-2.83,;4.91,-1.57,;4.91,-.02,;4.91,1.53,;6.24,2.3,;6.24,3.84,;7.57,1.53,;7.57,-.02,;6.24,-.79,;6.45,-4.65,;4.91,-4.65,;3.58,-3.88,;2.25,-4.65,;.91,-3.88,;.91,-2.34,;-.44,-1.55,;2.25,-1.57,;3.58,-2.34,;7.89,-4.11,;8.85,-5.3,;8.29,-6.75,;7.09,-7.7,;8.52,-8.27,)|
Show InChI InChI=1S/C21H25NO2/c1-12-21-18-9-15(23)5-4-14(18)8-20(22(12)11-13-2-3-13)17-7-6-16(24)10-19(17)21/h4-5,9-10,12-13,17,20-21,23H,2-3,6-8,11H2,1H3/t12-,17-,20+,21+/m1/s1
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n/an/a 460n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122543
PNG
(4,13-dibromo-20-azapentacyclo[7.6.5.02,7.010,15.01...)
Show SMILES BrC1=CC[C@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:5.20,14.22,4.23,15.21,c:24,t:1,TLB:16:15:20.4:13.7.6,8:7:19.15:20.4,18:19:20.4:13.7.6,THB:3:4:19.15:13.7.6,12:13:19.15:20.4,(13.03,-1.48,;13.04,-3.02,;14.38,-3.79,;14.38,-5.33,;13.04,-6.1,;13.26,-9.97,;11.71,-9.97,;10.38,-9.2,;9.05,-9.97,;7.71,-9.2,;7.71,-7.66,;6.37,-6.89,;9.05,-6.87,;10.38,-7.64,;11.71,-6.87,;15.9,-8.45,;17.18,-9.29,;16.78,-10.76,;15.24,-10.86,;14.7,-9.41,;11.71,-5.33,;11.71,-3.79,)|
Show InChI InChI=1S/C19H19Br2N/c20-12-4-3-11-8-18-14-6-5-13(21)10-16(14)19(15(11)9-12)17-2-1-7-22(17)18/h3-5,9-10,14,17-19H,1-2,6-8H2/t14-,17+,18+,19+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122541
PNG
(4N,13N-diphenyl-16,17-dimethyl-(16R)-17-azatetracy...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(Nc4ccccc4)cc23)N1C)=Nc1ccccc1 |w:26.31,wU:2.2,9.27,8.8,1.0,t:3,TLB:0:1:3.8:23.11.10,22:23:24.1:3.8,THB:12:11:24.1:3.8,25:24:3.8:23.11.10,7:8:24.1:23.11.10,(11.76,-4.31,;10.67,-5.4,;6.84,-4.14,;6.84,-2.59,;6.84,-1.06,;8.17,-.29,;9.51,-1.06,;9.51,-2.59,;8.17,-3.36,;8.39,-7.22,;6.84,-7.22,;5.52,-6.46,;4.19,-7.22,;2.85,-6.46,;2.85,-4.91,;1.51,-4.13,;.17,-4.87,;-1.16,-4.1,;-2.48,-4.85,;-2.49,-6.4,;-1.16,-7.18,;.17,-6.41,;4.19,-4.14,;5.52,-4.91,;9.82,-6.67,;10.78,-7.87,;8.17,1.25,;6.83,2.02,;5.52,1.26,;4.19,2.02,;4.17,3.56,;5.52,4.35,;6.84,3.58,)|
Show InChI InChI=1S/C30H31N3/c1-20-30-27-18-24(31-22-9-5-3-6-10-22)14-13-21(27)17-29(33(20)2)26-16-15-25(19-28(26)30)32-23-11-7-4-8-12-23/h3-14,18-20,26,29-31H,15-17H2,1-2H3/t20-,26-,29+,30+/m1/s1
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n/an/a 530n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027010
PNG
(CHEMBL2112838)
Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(C)N2C |TLB:4:3:20.17:11.16,12:11:20.17:8.2.3,THB:21:20:11.16:8.2.3,19:17:11.16:8.2.3,7:8:20.17:11.16|
Show InChI InChI=1S/C18H19N/c1-12-18-14-8-4-3-7-13(14)11-17(19(12)2)15-9-5-6-10-16(15)18/h3-10,12,17-18H,11H2,1-2H3/t12-,17+,18-/m0/s1
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n/an/a 611n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor mu 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122523
PNG
(4N,13N-dibenzyl-16,17-dimethyl-17-azatetracyclo[7....)
Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1C)=NCc1ccccc1 |w:27.32,wU:2.2,9.28,8.8,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:26:25:3.8:24.11.10,7:8:25.1:24.11.10,12:11:25.1:3.8,(11.14,-2.39,;10.05,-3.49,;6.2,-2.23,;6.2,-.68,;6.2,.88,;7.54,1.65,;8.88,.88,;8.88,-.68,;7.54,-1.45,;7.76,-5.32,;6.2,-5.32,;4.87,-4.54,;3.54,-5.32,;2.21,-4.54,;2.21,-3,;.85,-2.21,;-.49,-2.97,;-.49,-4.51,;-1.84,-5.27,;-1.84,-6.8,;-.51,-7.58,;.83,-6.8,;.83,-5.27,;3.54,-2.23,;4.87,-3,;9.2,-4.77,;10.16,-5.97,;7.54,3.2,;6.2,3.97,;4.87,3.2,;4.87,1.68,;3.56,.91,;2.23,1.68,;2.23,3.2,;3.55,3.97,)|
Show InChI InChI=1S/C32H35N3/c1-22-32-29-18-26(33-20-23-9-5-3-6-10-23)14-13-25(29)17-31(35(22)2)28-16-15-27(19-30(28)32)34-21-24-11-7-4-8-12-24/h3-14,18-19,22,28,31-33H,15-17,20-21H2,1-2H3/t22-,28-,31+,32+/m1/s1
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n/an/a 640n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027006
PNG
(CHEMBL2112844)
Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@@]([H])(C)N2 |TLB:12:11:20.17:8.2.3,4:3:20.17:11.16,THB:19:17:11.16:8.2.3,7:8:20.17:11.16|
Show InChI InChI=1S/C17H17N/c1-11-17-13-7-3-2-6-12(13)10-16(18-11)14-8-4-5-9-15(14)17/h2-9,11,16-18H,10H2,1H3/t11-,16-,17+/m1/s1
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n/an/a 650n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor mu 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122521
PNG
(17-cyclopropylmethyl-16-methyl-4,13-di(4-methylhex...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCN(C)CC2)N1CC1CC1)N1CCN(C)CC1 |wU:2.2,9.27,8.7,1.0,c:5,t:3,TLB:0:1:3.8:16.11.10,15:16:24.1:3.8,THB:7:8:24.1:16.11.10,25:24:3.8:16.11.10,12:11:24.1:3.8,(18.32,-10.24,;17.23,-11.34,;13.4,-10.08,;13.4,-8.52,;13.4,-6.98,;14.73,-6.21,;16.06,-6.98,;16.06,-8.52,;14.73,-9.29,;14.94,-13.17,;13.4,-13.17,;12.07,-12.4,;10.74,-13.17,;9.4,-12.4,;9.4,-10.85,;10.74,-10.08,;12.07,-10.85,;8.06,-10.06,;6.7,-10.83,;5.35,-10.04,;5.37,-8.48,;4.04,-7.7,;6.73,-7.71,;8.06,-8.5,;16.39,-12.61,;17.34,-13.81,;16.76,-15.24,;16.36,-16.73,;15.28,-15.64,;14.73,-4.67,;16.06,-3.9,;16.06,-2.36,;14.73,-1.59,;14.75,-.05,;13.4,-2.36,;13.39,-3.9,)|
Show InChI InChI=1S/C31H45N5/c1-22-31-28-19-25(34-14-10-32(2)11-15-34)7-6-24(28)18-30(36(22)21-23-4-5-23)27-9-8-26(20-29(27)31)35-16-12-33(3)13-17-35/h6-8,19-20,22-23,27,30-31H,4-5,9-18,21H2,1-3H3/t22-,27-,30+,31+/m1/s1
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n/an/a 690n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122530
PNG
(4-[16,17-dimethyl-13-(1,4-oxazinan-4-yl)-17-azatet...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCOCC2)N1C)N1CCOCC1 |wU:2.2,9.26,8.8,1.0,c:5,t:3,TLB:0:1:3.8:16.11.10,15:16:23.1:3.8,THB:12:11:23.1:3.8,7:8:23.1:16.11.10,24:23:3.8:16.11.10,(11.11,-4.34,;10.03,-5.44,;6.19,-4.18,;6.19,-2.62,;6.19,-1.08,;7.52,-.31,;8.87,-1.08,;8.87,-2.62,;7.52,-3.39,;7.75,-7.26,;6.19,-7.26,;4.86,-6.49,;3.53,-7.26,;2.2,-6.49,;2.2,-4.95,;3.53,-4.18,;4.86,-4.95,;.87,-4.18,;.87,-2.64,;-.46,-1.87,;-1.8,-2.62,;-1.81,-4.16,;-.47,-4.95,;9.18,-6.7,;10.13,-7.91,;7.52,1.23,;8.87,2,;8.87,3.54,;7.54,4.31,;6.19,3.54,;6.19,2,)|
Show InChI InChI=1S/C26H35N3O2/c1-18-26-23-16-20(28-7-11-30-12-8-28)4-3-19(23)15-25(27(18)2)22-6-5-21(17-24(22)26)29-9-13-31-14-10-29/h3-5,16-18,22,25-26H,6-15H2,1-2H3/t18-,22-,25+,26+/m1/s1
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n/an/a 690n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027005
PNG
(CHEMBL2112843)
Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(C(C)C)N2C |TLB:4:3:22.17:11.16,12:11:22.17:8.2.3,THB:23:22:11.16:8.2.3,19:17:11.16:8.2.3,7:8:22.17:11.16|
Show InChI InChI=1S/C20H23N/c1-13(2)20-19-15-9-5-4-8-14(15)12-18(21(20)3)16-10-6-7-11-17(16)19/h4-11,13,18-20H,12H2,1-3H3/t18-,19+,20+/m1/s1
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n/an/a 695n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor mu 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122547
PNG
(2-[16-methyl-(16S)-17-azatetracyclo[7.6.2.02,7.010...)
Show SMILES [H][C@@]1(C)N(CCO)[C@]2([H])Cc3ccccc3[C@]1([H])C1=CC=CC[C@]21[H] |c:22,t:20,TLB:14:15:3.1:18.23,THB:11:10:3.1:18.23,19:18:3.1:15.9.10,4:3:18.23:15.9.10,2:1:18.23:15.9.10|
Show InChI InChI=1S/C19H23NO/c1-13-19-15-7-3-2-6-14(15)12-18(20(13)10-11-21)16-8-4-5-9-17(16)19/h2-7,9,13,16,18-19,21H,8,10-12H2,1H3/t13-,16?,18+,19?/m0/s1
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n/an/a 764n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122550
PNG
(4N,13N-diphenyl-17-cyclopropylmethyl-16-methyl-(9S...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(Nc4ccccc4)cc23)N1CC1CC1)=Nc1ccccc1 |w:29.35,wU:2.2,9.27,8.7,1.0,t:3,TLB:0:1:3.8:23.11.10,22:23:24.1:3.8,THB:12:11:24.1:3.8,25:24:3.8:23.11.10,7:8:24.1:23.11.10,(11.78,-2.83,;10.69,-3.93,;6.86,-2.67,;6.86,-1.13,;6.86,.42,;8.19,1.19,;9.53,.42,;9.53,-1.13,;8.19,-1.9,;8.41,-5.76,;6.86,-5.76,;5.53,-4.99,;4.2,-5.76,;2.85,-4.99,;2.85,-3.45,;1.52,-2.66,;.17,-3.41,;-1.16,-2.64,;-2.49,-3.39,;-2.5,-4.93,;-1.17,-5.72,;.17,-4.95,;4.2,-2.67,;5.53,-3.44,;9.85,-5.21,;10.8,-6.4,;10.24,-7.85,;9.05,-8.8,;10.48,-9.36,;8.19,2.73,;6.84,3.5,;6.86,5.06,;5.53,5.83,;4.18,5.06,;4.2,3.5,;5.53,2.75,)|
Show InChI InChI=1S/C33H35N3/c1-22-33-30-19-27(34-25-8-4-2-5-9-25)15-14-24(30)18-32(36(22)21-23-12-13-23)29-17-16-28(20-31(29)33)35-26-10-6-3-7-11-26/h2-11,14-15,19-20,22-23,29,32-34H,12-13,16-18,21H2,1H3/t22-,29-,32+,33+/m1/s1
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n/an/a 890n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122548
PNG
(16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(=O)CC[C@H]3[C@H](Cc3ccc(O)cc23)N1C |wU:2.2,10.21,9.9,1.0,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:20:19:3.9:18.12.11,8:9:19.1:18.12.11,13:12:19.1:3.9,(9.83,-3.2,;8.73,-4.3,;4.91,-3.04,;4.91,-1.5,;4.91,.05,;6.24,.82,;6.24,2.36,;7.57,.05,;7.57,-1.5,;6.24,-2.27,;6.45,-6.14,;4.91,-6.14,;3.58,-5.37,;2.25,-6.14,;.91,-5.37,;.91,-3.83,;-.44,-3.03,;2.25,-3.04,;3.58,-3.81,;7.89,-5.58,;8.85,-6.79,)|
Show InChI InChI=1S/C18H21NO2/c1-10-18-15-8-12(20)4-3-11(15)7-17(19(10)2)14-6-5-13(21)9-16(14)18/h3-4,8-10,14,17-18,20H,5-7H2,1-2H3/t10-,14-,17+,18+/m1/s1
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n/an/a 961n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027008
PNG
(CHEMBL2112842)
Show SMILES [H][C@@]1(CC(C)C)N(C)[C@]2([H])Cc3ccccc3[C@@]1([H])c1ccccc21 |TLB:15:16:6.1:19.24,THB:12:11:6.1:19.24,7:6:19.24:16.10.11,20:19:6.1:16.10.11,2:1:19.24:16.10.11|
Show InChI InChI=1S/C21H25N/c1-14(2)12-20-21-16-9-5-4-8-15(16)13-19(22(20)3)17-10-6-7-11-18(17)21/h4-11,14,19-21H,12-13H2,1-3H3/t19-,20+,21+/m1/s1
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n/an/a 1.01E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor mu 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122556
PNG
(17-cyclopropylmethyl-4,13-dimethoxy-16-methyl-17-a...)
Show SMILES COC1=CC[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@H]([C@@H](C)N3CC3CC3)C2=C1 |wU:16.26,6.20,5.4,17.18,c:28,t:2,TLB:9:8:19.17:24.5,20:19:24.5:15.8.7,THB:18:17:24.5:15.8.7,4:5:19.17:15.8.7,14:15:19.17:24.5,(4.9,4.64,;6.24,3.87,;6.24,2.33,;7.57,1.56,;7.57,.02,;6.24,-.75,;6.45,-4.63,;4.91,-4.63,;3.58,-3.86,;2.25,-4.63,;.91,-3.86,;.91,-2.31,;-.44,-1.52,;-.44,.02,;2.25,-1.54,;3.58,-2.31,;4.91,-1.54,;8.73,-2.8,;9.83,-1.7,;7.89,-4.07,;8.85,-5.28,;8.29,-6.72,;7.09,-7.66,;8.52,-8.24,;4.91,.02,;4.91,1.56,)|
Show InChI InChI=1S/C23H29NO2/c1-14-23-20-11-17(25-2)7-6-16(20)10-22(24(14)13-15-4-5-15)19-9-8-18(26-3)12-21(19)23/h6-8,11-12,14-15,19,22-23H,4-5,9-10,13H2,1-3H3/t14-,19-,22+,23+/m1/s1
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n/an/a 1.03E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027007
PNG
(CHEMBL2112841)
Show SMILES [H][C@@]1(Cc2ccccc2)N(C)[C@]2([H])Cc3ccccc3[C@@]1([H])c1ccccc21 |TLB:18:19:9.1:22.27,THB:10:9:22.27:19.13.14,23:22:9.1:19.13.14,2:1:22.27:19.13.14,15:14:9.1:22.27|
Show InChI InChI=1S/C24H23N/c1-25-22-16-18-11-5-6-12-19(18)24(21-14-8-7-13-20(21)22)23(25)15-17-9-3-2-4-10-17/h2-14,22-24H,15-16H2,1H3/t22-,23+,24+/m1/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor mu 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122533
PNG
(17-cyclopropylmethyl-16-methyl-17-azatetracyclo[7....)
Show SMILES C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1CC1CC1 |wU:2.2,9.19,8.7,1.0,c:5,t:3,TLB:0:1:3.8:16.10.11,15:16:17.1:3.8,THB:7:8:17.1:16.10.11,12:11:17.1:3.8,18:17:3.8:16.10.11,(9.27,-1.06,;7.84,-1.61,;4.09,-.36,;4.08,1.18,;4.08,2.72,;5.41,3.49,;6.74,2.73,;6.75,1.18,;5.41,.41,;5.63,-3.46,;4.09,-3.46,;2.76,-2.69,;1.42,-3.46,;.09,-2.69,;.09,-1.14,;1.42,-.37,;2.76,-1.14,;7.08,-2.95,;8.06,-4.11,;7.54,-5.56,;6.35,-6.56,;7.8,-7.09,)|
Show InChI InChI=1S/C21H25N/c1-14-21-17-7-3-2-6-16(17)12-20(22(14)13-15-10-11-15)18-8-4-5-9-19(18)21/h2-7,9,14-15,18,20-21H,8,10-13H2,1H3/t14-,18-,20+,21+/m1/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027009
PNG
(CHEMBL2112835)
Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(CCCO)N2C |TLB:4:3:23.17:11.16,12:11:23.17:8.2.3,THB:24:23:11.16:8.2.3,19:17:11.16:8.2.3,7:8:23.17:11.16|
Show InChI InChI=1S/C20H23NO/c1-21-18(11-6-12-22)20-15-8-3-2-7-14(15)13-19(21)16-9-4-5-10-17(16)20/h2-5,7-10,18-20,22H,6,11-13H2,1H3/t18-,19+,20-/m0/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor mu 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122550
PNG
(4N,13N-diphenyl-17-cyclopropylmethyl-16-methyl-(9S...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(Nc4ccccc4)cc23)N1CC1CC1)=Nc1ccccc1 |w:29.35,wU:2.2,9.27,8.7,1.0,t:3,TLB:0:1:3.8:23.11.10,22:23:24.1:3.8,THB:12:11:24.1:3.8,25:24:3.8:23.11.10,7:8:24.1:23.11.10,(11.78,-2.83,;10.69,-3.93,;6.86,-2.67,;6.86,-1.13,;6.86,.42,;8.19,1.19,;9.53,.42,;9.53,-1.13,;8.19,-1.9,;8.41,-5.76,;6.86,-5.76,;5.53,-4.99,;4.2,-5.76,;2.85,-4.99,;2.85,-3.45,;1.52,-2.66,;.17,-3.41,;-1.16,-2.64,;-2.49,-3.39,;-2.5,-4.93,;-1.17,-5.72,;.17,-4.95,;4.2,-2.67,;5.53,-3.44,;9.85,-5.21,;10.8,-6.4,;10.24,-7.85,;9.05,-8.8,;10.48,-9.36,;8.19,2.73,;6.84,3.5,;6.86,5.06,;5.53,5.83,;4.18,5.06,;4.2,3.5,;5.53,2.75,)|
Show InChI InChI=1S/C33H35N3/c1-22-33-30-19-27(34-25-8-4-2-5-9-25)15-14-24(30)18-32(36(22)21-23-12-13-23)29-17-16-28(20-31(29)33)35-26-10-6-3-7-11-26/h2-11,14-15,19-20,22-23,29,32-34H,12-13,16-18,21H2,1H3/t22-,29-,32+,33+/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122548
PNG
(16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(=O)CC[C@H]3[C@H](Cc3ccc(O)cc23)N1C |wU:2.2,10.21,9.9,1.0,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:20:19:3.9:18.12.11,8:9:19.1:18.12.11,13:12:19.1:3.9,(9.83,-3.2,;8.73,-4.3,;4.91,-3.04,;4.91,-1.5,;4.91,.05,;6.24,.82,;6.24,2.36,;7.57,.05,;7.57,-1.5,;6.24,-2.27,;6.45,-6.14,;4.91,-6.14,;3.58,-5.37,;2.25,-6.14,;.91,-5.37,;.91,-3.83,;-.44,-3.03,;2.25,-3.04,;3.58,-3.81,;7.89,-5.58,;8.85,-6.79,)|
Show InChI InChI=1S/C18H21NO2/c1-10-18-15-8-12(20)4-3-11(15)7-17(19(10)2)14-6-5-13(21)9-16(14)18/h3-4,8-10,14,17-18,20H,5-7H2,1-2H3/t10-,14-,17+,18+/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122521
PNG
(17-cyclopropylmethyl-16-methyl-4,13-di(4-methylhex...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCN(C)CC2)N1CC1CC1)N1CCN(C)CC1 |wU:2.2,9.27,8.7,1.0,c:5,t:3,TLB:0:1:3.8:16.11.10,15:16:24.1:3.8,THB:7:8:24.1:16.11.10,25:24:3.8:16.11.10,12:11:24.1:3.8,(18.32,-10.24,;17.23,-11.34,;13.4,-10.08,;13.4,-8.52,;13.4,-6.98,;14.73,-6.21,;16.06,-6.98,;16.06,-8.52,;14.73,-9.29,;14.94,-13.17,;13.4,-13.17,;12.07,-12.4,;10.74,-13.17,;9.4,-12.4,;9.4,-10.85,;10.74,-10.08,;12.07,-10.85,;8.06,-10.06,;6.7,-10.83,;5.35,-10.04,;5.37,-8.48,;4.04,-7.7,;6.73,-7.71,;8.06,-8.5,;16.39,-12.61,;17.34,-13.81,;16.76,-15.24,;16.36,-16.73,;15.28,-15.64,;14.73,-4.67,;16.06,-3.9,;16.06,-2.36,;14.73,-1.59,;14.75,-.05,;13.4,-2.36,;13.39,-3.9,)|
Show InChI InChI=1S/C31H45N5/c1-22-31-28-19-25(34-14-10-32(2)11-15-34)7-6-24(28)18-30(36(22)21-23-4-5-23)27-9-8-26(20-29(27)31)35-16-12-33(3)13-17-35/h6-8,19-20,22-23,27,30-31H,4-5,9-18,21H2,1-3H3/t22-,27-,30+,31+/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
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 |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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n/an/a 1.71E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027007
PNG
(CHEMBL2112841)
Show SMILES [H][C@@]1(Cc2ccccc2)N(C)[C@]2([H])Cc3ccccc3[C@@]1([H])c1ccccc21 |TLB:18:19:9.1:22.27,THB:10:9:22.27:19.13.14,23:22:9.1:19.13.14,2:1:22.27:19.13.14,15:14:9.1:22.27|
Show InChI InChI=1S/C24H23N/c1-25-22-16-18-11-5-6-12-19(18)24(21-14-8-7-13-20(21)22)23(25)15-17-9-3-2-4-10-17/h2-14,22-24H,15-16H2,1H3/t22-,23+,24+/m1/s1
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n/an/a 1.71E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122518
PNG
(17-allyl-16-methyl-17-azatetracyclo[7.6.2.02,7.010...)
Show SMILES C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1CC=C |wU:9.19,2.2,8.8,1.0,c:5,t:3,TLB:15:16:17.1:3.8,0:1:3.8:16.10.11,THB:12:11:17.1:3.8,18:17:3.8:16.10.11,7:8:17.1:16.10.11,(9.27,-1.22,;7.84,-1.78,;4.09,-.54,;4.08,1,;4.08,2.56,;5.41,3.33,;6.74,2.56,;6.75,1.02,;5.41,.23,;5.63,-3.62,;4.09,-3.62,;2.76,-2.85,;1.42,-3.62,;.09,-2.85,;.09,-1.31,;1.42,-.54,;2.76,-1.31,;7.08,-3.11,;8.06,-4.29,;7.54,-5.74,;8.52,-6.91,)|
Show InChI InChI=1S/C20H23N/c1-3-12-21-14(2)20-16-9-5-4-8-15(16)13-19(21)17-10-6-7-11-18(17)20/h3-9,11,14,17,19-20H,1,10,12-13H2,2H3/t14-,17-,19+,20+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122526
PNG
(17-cyclopropylmethyl-16-methyl-13-methylcarbonylox...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(OC(C)=O)=CC[C@H]3[C@H](Cc3ccc(OC(C)=O)cc23)N1CC1CC1 |wU:2.2,13.27,12.11,1.0,c:9,t:3,TLB:0:1:3.12:24.15.14,23:24:25.1:3.12,THB:16:15:25.1:3.12,26:25:3.12:24.15.14,11:12:25.1:24.15.14,(10.46,-2.45,;9.36,-3.55,;5.54,-2.29,;5.54,-.73,;5.54,.81,;6.87,1.58,;6.87,3.12,;8.2,3.9,;8.2,5.44,;9.53,3.13,;8.2,.81,;8.2,-.73,;6.87,-1.5,;7.08,-5.37,;5.54,-5.37,;4.21,-4.6,;2.88,-5.37,;1.54,-4.6,;1.54,-3.06,;.19,-2.27,;.19,-.73,;1.54,.04,;-1.14,.06,;2.88,-2.29,;4.21,-3.06,;8.52,-4.81,;9.48,-6.03,;8.92,-7.47,;7.72,-8.41,;9.15,-8.98,)|
Show InChI InChI=1S/C25H29NO4/c1-14-25-22-11-19(29-15(2)27)7-6-18(22)10-24(26(14)13-17-4-5-17)21-9-8-20(12-23(21)25)30-16(3)28/h6-8,11-12,14,17,21,24-25H,4-5,9-10,13H2,1-3H3/t14-,21-,24+,25+/m1/s1
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n/an/a 2.02E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122521
PNG
(17-cyclopropylmethyl-16-methyl-4,13-di(4-methylhex...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCN(C)CC2)N1CC1CC1)N1CCN(C)CC1 |wU:2.2,9.27,8.7,1.0,c:5,t:3,TLB:0:1:3.8:16.11.10,15:16:24.1:3.8,THB:7:8:24.1:16.11.10,25:24:3.8:16.11.10,12:11:24.1:3.8,(18.32,-10.24,;17.23,-11.34,;13.4,-10.08,;13.4,-8.52,;13.4,-6.98,;14.73,-6.21,;16.06,-6.98,;16.06,-8.52,;14.73,-9.29,;14.94,-13.17,;13.4,-13.17,;12.07,-12.4,;10.74,-13.17,;9.4,-12.4,;9.4,-10.85,;10.74,-10.08,;12.07,-10.85,;8.06,-10.06,;6.7,-10.83,;5.35,-10.04,;5.37,-8.48,;4.04,-7.7,;6.73,-7.71,;8.06,-8.5,;16.39,-12.61,;17.34,-13.81,;16.76,-15.24,;16.36,-16.73,;15.28,-15.64,;14.73,-4.67,;16.06,-3.9,;16.06,-2.36,;14.73,-1.59,;14.75,-.05,;13.4,-2.36,;13.39,-3.9,)|
Show InChI InChI=1S/C31H45N5/c1-22-31-28-19-25(34-14-10-32(2)11-15-34)7-6-24(28)18-30(36(22)21-23-4-5-23)27-9-8-26(20-29(27)31)35-16-12-33(3)13-17-35/h6-8,19-20,22-23,27,30-31H,4-5,9-18,21H2,1-3H3/t22-,27-,30+,31+/m1/s1
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n/an/a 2.04E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122534
PNG
(4,13-dibromo-17-cyclopropylmethyl-16-methyl-17-aza...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(Br)=CC[C@H]3[C@H](Cc3ccc(Br)cc23)N1CC1CC1 |wU:2.2,10.21,9.8,1.0,c:6,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:13:12:19.1:3.9,20:19:3.9:18.12.11,8:9:19.1:18.12.11,(10.17,-1.85,;8.73,-2.41,;4.99,-1.17,;4.98,.37,;4.98,1.93,;6.31,2.7,;6.31,4.24,;7.63,1.93,;7.65,.39,;6.31,-.4,;6.54,-4.25,;5,-4.25,;3.66,-3.48,;2.32,-4.25,;.99,-3.48,;.99,-1.94,;-.34,-1.17,;2.32,-1.17,;3.66,-1.94,;7.98,-3.74,;8.96,-4.92,;8.43,-6.37,;7.26,-7.35,;8.71,-7.89,)|
Show InChI InChI=1S/C21H23Br2N/c1-12-21-18-9-15(22)5-4-14(18)8-20(24(12)11-13-2-3-13)17-7-6-16(23)10-19(17)21/h4-6,9-10,12-13,17,20-21H,2-3,7-8,11H2,1H3/t12-,17-,20+,21+/m1/s1
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n/an/a 2.05E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122540
PNG
(16,17-dimethyl-4,13-di(4-methylhexahydro-1-pyrazin...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCN(C)CC2)N1C)N1CCN(C)CC1 |wU:2.2,9.27,8.8,1.0,c:5,t:3,TLB:15:16:24.1:3.8,0:1:3.8:16.11.10,THB:7:8:24.1:16.11.10,12:11:24.1:3.8,25:24:3.8:16.11.10,(13.17,-7.29,;12.07,-8.38,;8.24,-7.12,;8.24,-5.56,;8.24,-4.02,;9.57,-3.25,;10.9,-4.02,;10.9,-5.56,;9.57,-6.33,;9.78,-10.2,;8.24,-10.2,;6.91,-9.43,;5.58,-10.2,;4.25,-9.43,;4.25,-7.89,;5.58,-7.12,;6.91,-7.89,;2.9,-7.1,;2.9,-5.54,;1.57,-4.76,;.21,-5.51,;-1.11,-4.74,;.19,-7.08,;1.55,-7.87,;11.23,-9.64,;12.19,-10.86,;9.57,-1.71,;10.9,-.94,;10.9,.58,;9.57,1.37,;9.59,2.91,;8.24,.6,;8.24,-.94,)|
Show InChI InChI=1S/C28H41N5/c1-20-28-25-18-22(32-13-9-29(2)10-14-32)6-5-21(25)17-27(31(20)4)24-8-7-23(19-26(24)28)33-15-11-30(3)12-16-33/h5-7,18-20,24,27-28H,8-17H2,1-4H3/t20-,24-,27+,28+/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122554
PNG
(13-methylcarbonyloxy-20-azapentacyclo[7.6.5.02,7.0...)
Show SMILES CC(=O)OC1=CC[C@H]2[C@@H]3Cc4ccc(OC(C)=O)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:8.26,20.28,7.29,21.27,c:30,t:4,TLB:11:10:25.21:26.7,24:25:26.7:19.10.9,22:21:26.7:19.10.9,THB:6:7:25.21:19.10.9,18:19:25.21:26.7,(6.54,5.97,;6.54,4.43,;7.87,3.66,;5.21,3.66,;5.21,2.12,;6.56,1.35,;6.56,-.19,;5.21,-.96,;5.44,-4.84,;3.88,-4.84,;2.55,-4.07,;1.22,-4.84,;-.11,-4.07,;-.11,-2.52,;-1.45,-1.75,;-1.45,-.21,;-2.79,.58,;-.12,.56,;1.22,-1.75,;2.55,-2.52,;3.88,-1.75,;8.07,-3.32,;9.36,-4.16,;8.96,-5.65,;7.43,-5.72,;6.87,-4.28,;3.88,-.19,;3.88,1.35,)|
Show InChI InChI=1S/C23H25NO4/c1-13(25)27-16-6-5-15-10-22-18-8-7-17(28-14(2)26)12-20(18)23(19(15)11-16)21-4-3-9-24(21)22/h5-7,11-12,18,21-23H,3-4,8-10H2,1-2H3/t18-,21+,22+,23+/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027008
PNG
(CHEMBL2112842)
Show SMILES [H][C@@]1(CC(C)C)N(C)[C@]2([H])Cc3ccccc3[C@@]1([H])c1ccccc21 |TLB:15:16:6.1:19.24,THB:12:11:6.1:19.24,7:6:19.24:16.10.11,20:19:6.1:16.10.11,2:1:19.24:16.10.11|
Show InChI InChI=1S/C21H25N/c1-14(2)12-20-21-16-9-5-4-8-15(16)13-19(22(20)3)17-10-6-7-11-18(17)21/h4-11,14,19-21H,12-13H2,1-3H3/t19-,20+,21+/m1/s1
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n/an/a 2.97E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122540
PNG
(16,17-dimethyl-4,13-di(4-methylhexahydro-1-pyrazin...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCN(C)CC2)N1C)N1CCN(C)CC1 |wU:2.2,9.27,8.8,1.0,c:5,t:3,TLB:15:16:24.1:3.8,0:1:3.8:16.11.10,THB:7:8:24.1:16.11.10,12:11:24.1:3.8,25:24:3.8:16.11.10,(13.17,-7.29,;12.07,-8.38,;8.24,-7.12,;8.24,-5.56,;8.24,-4.02,;9.57,-3.25,;10.9,-4.02,;10.9,-5.56,;9.57,-6.33,;9.78,-10.2,;8.24,-10.2,;6.91,-9.43,;5.58,-10.2,;4.25,-9.43,;4.25,-7.89,;5.58,-7.12,;6.91,-7.89,;2.9,-7.1,;2.9,-5.54,;1.57,-4.76,;.21,-5.51,;-1.11,-4.74,;.19,-7.08,;1.55,-7.87,;11.23,-9.64,;12.19,-10.86,;9.57,-1.71,;10.9,-.94,;10.9,.58,;9.57,1.37,;9.59,2.91,;8.24,.6,;8.24,-.94,)|
Show InChI InChI=1S/C28H41N5/c1-20-28-25-18-22(32-13-9-29(2)10-14-32)6-5-21(25)17-27(31(20)4)24-8-7-23(19-26(24)28)33-15-11-30(3)12-16-33/h5-7,18-20,24,27-28H,8-17H2,1-4H3/t20-,24-,27+,28+/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122526
PNG
(17-cyclopropylmethyl-16-methyl-13-methylcarbonylox...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(OC(C)=O)=CC[C@H]3[C@H](Cc3ccc(OC(C)=O)cc23)N1CC1CC1 |wU:2.2,13.27,12.11,1.0,c:9,t:3,TLB:0:1:3.12:24.15.14,23:24:25.1:3.12,THB:16:15:25.1:3.12,26:25:3.12:24.15.14,11:12:25.1:24.15.14,(10.46,-2.45,;9.36,-3.55,;5.54,-2.29,;5.54,-.73,;5.54,.81,;6.87,1.58,;6.87,3.12,;8.2,3.9,;8.2,5.44,;9.53,3.13,;8.2,.81,;8.2,-.73,;6.87,-1.5,;7.08,-5.37,;5.54,-5.37,;4.21,-4.6,;2.88,-5.37,;1.54,-4.6,;1.54,-3.06,;.19,-2.27,;.19,-.73,;1.54,.04,;-1.14,.06,;2.88,-2.29,;4.21,-3.06,;8.52,-4.81,;9.48,-6.03,;8.92,-7.47,;7.72,-8.41,;9.15,-8.98,)|
Show InChI InChI=1S/C25H29NO4/c1-14-25-22-11-19(29-15(2)27)7-6-18(22)10-24(26(14)13-17-4-5-17)21-9-8-20(12-23(21)25)30-16(3)28/h6-8,11-12,14,17,21,24-25H,4-5,9-10,13H2,1-3H3/t14-,21-,24+,25+/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027005
PNG
(CHEMBL2112843)
Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(C(C)C)N2C |TLB:4:3:22.17:11.16,12:11:22.17:8.2.3,THB:23:22:11.16:8.2.3,19:17:11.16:8.2.3,7:8:22.17:11.16|
Show InChI InChI=1S/C20H23N/c1-13(2)20-19-15-9-5-4-8-14(15)12-18(21(20)3)16-10-6-7-11-17(16)19/h4-11,13,18-20H,12H2,1-3H3/t18-,19+,20+/m1/s1
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n/an/a 3.41E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027007
PNG
(CHEMBL2112841)
Show SMILES [H][C@@]1(Cc2ccccc2)N(C)[C@]2([H])Cc3ccccc3[C@@]1([H])c1ccccc21 |TLB:18:19:9.1:22.27,THB:10:9:22.27:19.13.14,23:22:9.1:19.13.14,2:1:22.27:19.13.14,15:14:9.1:22.27|
Show InChI InChI=1S/C24H23N/c1-25-22-16-18-11-5-6-12-19(18)24(21-14-8-7-13-20(21)22)23(25)15-17-9-3-2-4-10-17/h2-14,22-24H,15-16H2,1H3/t22-,23+,24+/m1/s1
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n/an/a 3.44E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122541
PNG
(4N,13N-diphenyl-16,17-dimethyl-(16R)-17-azatetracy...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(Nc4ccccc4)cc23)N1C)=Nc1ccccc1 |w:26.31,wU:2.2,9.27,8.8,1.0,t:3,TLB:0:1:3.8:23.11.10,22:23:24.1:3.8,THB:12:11:24.1:3.8,25:24:3.8:23.11.10,7:8:24.1:23.11.10,(11.76,-4.31,;10.67,-5.4,;6.84,-4.14,;6.84,-2.59,;6.84,-1.06,;8.17,-.29,;9.51,-1.06,;9.51,-2.59,;8.17,-3.36,;8.39,-7.22,;6.84,-7.22,;5.52,-6.46,;4.19,-7.22,;2.85,-6.46,;2.85,-4.91,;1.51,-4.13,;.17,-4.87,;-1.16,-4.1,;-2.48,-4.85,;-2.49,-6.4,;-1.16,-7.18,;.17,-6.41,;4.19,-4.14,;5.52,-4.91,;9.82,-6.67,;10.78,-7.87,;8.17,1.25,;6.83,2.02,;5.52,1.26,;4.19,2.02,;4.17,3.56,;5.52,4.35,;6.84,3.58,)|
Show InChI InChI=1S/C30H31N3/c1-20-30-27-18-24(31-22-9-5-3-6-10-22)14-13-21(27)17-29(33(20)2)26-16-15-25(19-28(26)30)32-23-11-7-4-8-12-23/h3-14,18-20,26,29-31H,15-17H2,1-2H3/t20-,26-,29+,30+/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122531
PNG
(20-azapentacyclo[7.6.5.02,7.010,15.016,20]icosa-2(...)
Show SMILES Oc1ccc2C[C@H]3[C@@H]4CCC(=O)C=C4[C@@H]([C@@H]4CCCN34)c2c1 |wU:6.20,14.14,7.13,15.21,c:12,TLB:8:7:19.15:20.4.5,21:20:19.15:13.7,THB:16:15:13.7:20.4.5,3:4:19.15:13.7,18:19:13.7:20.4.5,(-.13,-2.89,;1.2,-3.66,;1.2,-5.2,;2.54,-5.97,;3.85,-5.2,;5.19,-5.97,;6.74,-5.97,;6.52,-2.12,;7.85,-1.35,;7.85,.2,;6.52,.97,;6.5,2.51,;5.19,.2,;5.19,-1.35,;5.19,-2.89,;9.37,-4.45,;10.65,-5.31,;10.25,-6.78,;8.71,-6.85,;8.17,-5.42,;3.85,-3.66,;2.54,-2.89,)|
Show InChI InChI=1S/C19H21NO2/c21-12-4-3-11-8-18-14-6-5-13(22)10-16(14)19(15(11)9-12)17-2-1-7-20(17)18/h3-4,9-10,14,17-19,21H,1-2,5-8H2/t14-,17+,18+,19+/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122518
PNG
(17-allyl-16-methyl-17-azatetracyclo[7.6.2.02,7.010...)
Show SMILES C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1CC=C |wU:9.19,2.2,8.8,1.0,c:5,t:3,TLB:15:16:17.1:3.8,0:1:3.8:16.10.11,THB:12:11:17.1:3.8,18:17:3.8:16.10.11,7:8:17.1:16.10.11,(9.27,-1.22,;7.84,-1.78,;4.09,-.54,;4.08,1,;4.08,2.56,;5.41,3.33,;6.74,2.56,;6.75,1.02,;5.41,.23,;5.63,-3.62,;4.09,-3.62,;2.76,-2.85,;1.42,-3.62,;.09,-2.85,;.09,-1.31,;1.42,-.54,;2.76,-1.31,;7.08,-3.11,;8.06,-4.29,;7.54,-5.74,;8.52,-6.91,)|
Show InChI InChI=1S/C20H23N/c1-3-12-21-14(2)20-16-9-5-4-8-15(16)13-19(21)17-10-6-7-11-18(17)20/h3-9,11,14,17,19-20H,1,10,12-13H2,2H3/t14-,17-,19+,20+/m1/s1
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n/an/a>4.00E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122539
PNG
(4,13-dimethoxy-20-azapentacyclo[7.6.5.02,7.010,15....)
Show SMILES COC1=CC[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:6.22,16.24,5.25,17.23,c:26,t:2,TLB:18:17:22.5:15.8.7,9:8:21.17:22.5,20:21:22.5:15.8.7,THB:4:5:21.17:15.8.7,14:15:21.17:22.5,(9.96,-3.75,;11.28,-4.52,;11.28,-6.06,;12.63,-6.83,;12.63,-8.37,;11.28,-9.14,;11.51,-13,;9.96,-13,;8.63,-12.23,;7.3,-13,;5.96,-12.23,;5.96,-10.69,;4.62,-9.93,;3.29,-10.7,;7.3,-9.91,;8.63,-10.68,;9.96,-9.91,;14.14,-11.49,;15.42,-12.33,;15.03,-13.8,;13.49,-13.89,;12.94,-12.45,;9.96,-8.37,;9.96,-6.83,)|
Show InChI InChI=1S/C21H25NO2/c1-23-14-6-5-13-10-20-16-8-7-15(24-2)12-18(16)21(17(13)11-14)19-4-3-9-22(19)20/h5-7,11-12,16,19-21H,3-4,8-10H2,1-2H3/t16-,19+,20+,21+/m1/s1
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n/an/a 4.04E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122519
PNG
(16,17-dimethyl-13-methylcarbonyloxy-17-azatetracyc...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(OC(C)=O)=CC[C@H]3[C@H](Cc3ccc(OC(C)=O)cc23)N1C |wU:2.2,13.27,12.12,1.0,c:9,t:3,TLB:0:1:3.12:24.15.14,23:24:25.1:3.12,THB:16:15:25.1:3.12,26:25:3.12:24.15.14,11:12:25.1:24.15.14,(10.46,-3.93,;9.36,-5.02,;5.54,-3.76,;5.54,-2.22,;5.54,-.66,;6.87,.11,;6.87,1.65,;8.2,2.42,;8.2,3.96,;9.53,1.65,;8.2,-.66,;8.2,-2.22,;6.87,-2.99,;7.08,-6.84,;5.54,-6.84,;4.21,-6.07,;2.88,-6.84,;1.54,-6.07,;1.54,-4.53,;.19,-3.74,;.19,-2.2,;1.54,-1.45,;-1.14,-1.42,;2.88,-3.76,;4.21,-4.53,;8.52,-6.3,;9.48,-7.5,)|
Show InChI InChI=1S/C22H25NO4/c1-12-22-19-10-16(26-13(2)24)6-5-15(19)9-21(23(12)4)18-8-7-17(11-20(18)22)27-14(3)25/h5-7,10-12,18,21-22H,8-9H2,1-4H3/t12-,18-,21+,22+/m1/s1
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n/an/a>4.70E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122534
PNG
(4,13-dibromo-17-cyclopropylmethyl-16-methyl-17-aza...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(Br)=CC[C@H]3[C@H](Cc3ccc(Br)cc23)N1CC1CC1 |wU:2.2,10.21,9.8,1.0,c:6,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:13:12:19.1:3.9,20:19:3.9:18.12.11,8:9:19.1:18.12.11,(10.17,-1.85,;8.73,-2.41,;4.99,-1.17,;4.98,.37,;4.98,1.93,;6.31,2.7,;6.31,4.24,;7.63,1.93,;7.65,.39,;6.31,-.4,;6.54,-4.25,;5,-4.25,;3.66,-3.48,;2.32,-4.25,;.99,-3.48,;.99,-1.94,;-.34,-1.17,;2.32,-1.17,;3.66,-1.94,;7.98,-3.74,;8.96,-4.92,;8.43,-6.37,;7.26,-7.35,;8.71,-7.89,)|
Show InChI InChI=1S/C21H23Br2N/c1-12-21-18-9-15(22)5-4-14(18)8-20(24(12)11-13-2-3-13)17-7-6-16(23)10-19(17)21/h4-6,9-10,12-13,17,20-21H,2-3,7-8,11H2,1H3/t12-,17-,20+,21+/m1/s1
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n/an/a>4.90E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122543
PNG
(4,13-dibromo-20-azapentacyclo[7.6.5.02,7.010,15.01...)
Show SMILES BrC1=CC[C@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:5.20,14.22,4.23,15.21,c:24,t:1,TLB:16:15:20.4:13.7.6,8:7:19.15:20.4,18:19:20.4:13.7.6,THB:3:4:19.15:13.7.6,12:13:19.15:20.4,(13.03,-1.48,;13.04,-3.02,;14.38,-3.79,;14.38,-5.33,;13.04,-6.1,;13.26,-9.97,;11.71,-9.97,;10.38,-9.2,;9.05,-9.97,;7.71,-9.2,;7.71,-7.66,;6.37,-6.89,;9.05,-6.87,;10.38,-7.64,;11.71,-6.87,;15.9,-8.45,;17.18,-9.29,;16.78,-10.76,;15.24,-10.86,;14.7,-9.41,;11.71,-5.33,;11.71,-3.79,)|
Show InChI InChI=1S/C19H19Br2N/c20-12-4-3-11-8-18-14-6-5-13(21)10-16(14)19(15(11)9-12)17-2-1-7-22(17)18/h3-5,9-10,14,17-19H,1-2,6-8H2/t14-,17+,18+,19+/m1/s1
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n/an/a 5.02E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122536
PNG
(4N,13N-di(4-bromobenzyl)-20-azapentacyclo[7.6.5.02...)
Show SMILES Brc1ccc(CNc2ccc3C[C@H]4[C@@H]5CCC(C=C5[C@@H]([C@@H]5CCCN45)c3c2)=NCc2ccc(Br)cc2)cc1 |w:27.32,wU:12.25,19.19,13.18,20.26,c:17,TLB:14:13:24.20:25.10.11,26:25:24.20:18.13,THB:21:20:18.13:25.10.11,23:24:18.13:25.10.11,9:10:24.20:18.13,(-1.25,-5.22,;.08,-5.99,;.08,-7.55,;1.41,-8.31,;2.74,-7.54,;4.08,-8.31,;4.08,-9.87,;5.42,-10.64,;5.42,-12.19,;6.77,-12.96,;8.1,-12.19,;9.43,-12.96,;10.97,-12.96,;10.76,-9.08,;12.1,-8.31,;12.1,-6.77,;10.76,-5.99,;9.43,-6.77,;9.43,-8.31,;9.43,-9.87,;13.62,-11.44,;14.9,-12.28,;14.5,-13.77,;12.98,-13.85,;12.42,-12.4,;8.1,-10.64,;6.77,-9.87,;10.76,-4.45,;12.09,-3.68,;12.09,-2.14,;13.43,-1.36,;13.43,.18,;12.1,.95,;12.1,2.49,;10.76,.16,;10.76,-1.36,;2.74,-6.01,;1.41,-5.24,)|
Show InChI InChI=1S/C33H33Br2N3/c34-24-8-3-21(4-9-24)19-36-26-12-7-23-16-32-28-14-13-27(37-20-22-5-10-25(35)11-6-22)18-30(28)33(29(23)17-26)31-2-1-15-38(31)32/h3-12,17-18,28,31-33,36H,1-2,13-16,19-20H2/t28-,31+,32+,33+/m1/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122556
PNG
(17-cyclopropylmethyl-4,13-dimethoxy-16-methyl-17-a...)
Show SMILES COC1=CC[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@H]([C@@H](C)N3CC3CC3)C2=C1 |wU:16.26,6.20,5.4,17.18,c:28,t:2,TLB:9:8:19.17:24.5,20:19:24.5:15.8.7,THB:18:17:24.5:15.8.7,4:5:19.17:15.8.7,14:15:19.17:24.5,(4.9,4.64,;6.24,3.87,;6.24,2.33,;7.57,1.56,;7.57,.02,;6.24,-.75,;6.45,-4.63,;4.91,-4.63,;3.58,-3.86,;2.25,-4.63,;.91,-3.86,;.91,-2.31,;-.44,-1.52,;-.44,.02,;2.25,-1.54,;3.58,-2.31,;4.91,-1.54,;8.73,-2.8,;9.83,-1.7,;7.89,-4.07,;8.85,-5.28,;8.29,-6.72,;7.09,-7.66,;8.52,-8.24,;4.91,.02,;4.91,1.56,)|
Show InChI InChI=1S/C23H29NO2/c1-14-23-20-11-17(25-2)7-6-16(20)10-22(24(14)13-15-4-5-15)19-9-8-18(26-3)12-21(19)23/h6-8,11-12,14-15,19,22-23H,4-5,9-10,13H2,1-3H3/t14-,19-,22+,23+/m1/s1
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n/an/a 5.33E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122524
PNG
(4,5,13,14-tetramethoxy-16,17-dimethyl-17-azatetrac...)
Show SMILES [H][C@@]1(C)N(C)[C@]2([H])Cc3cc(OC)c(OC)cc3[C@]1([H])C1=CC(OC)=C(C[C@]21[H])OC |c:26,t:22,TLB:16:17:20.27:3.1,THB:4:3:20.27:17.8.7,2:1:20.27:17.8.7,21:20:3.1:17.8.7,9:8:20.27:3.1|
Show InChI InChI=1S/C22H29NO4/c1-12-22-14-9-19(25-4)18(24-3)8-13(14)7-17(23(12)2)15-10-20(26-5)21(27-6)11-16(15)22/h8-9,11-12,15,17,22H,7,10H2,1-6H3/t12-,15?,17+,22?/m0/s1
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n/an/a>5.70E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122538
PNG
(16-methyl-17-azatetracyclo[7.6.2.02,7.010,15]hepta...)
Show SMILES C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1Cc1ccccc1 |wU:2.2,9.19,8.7,1.0,c:5,t:3,TLB:15:16:17.1:3.8,0:1:3.8:16.10.11,THB:12:11:17.1:3.8,18:17:3.8:16.10.11,7:8:17.1:16.10.11,(9.27,-.38,;7.84,-.93,;4.09,.32,;4.08,1.86,;4.08,3.4,;5.41,4.17,;6.74,3.41,;6.75,1.86,;5.41,1.09,;5.63,-2.78,;4.09,-2.78,;2.76,-2.01,;1.42,-2.78,;.09,-2.01,;.09,-.47,;1.42,.3,;2.76,-.47,;7.08,-2.27,;8.06,-3.44,;7.54,-4.88,;8.52,-6.05,;8.01,-7.5,;6.49,-7.78,;5.49,-6.59,;6.02,-5.14,)|
Show InChI InChI=1S/C24H25N/c1-17-24-20-12-6-5-11-19(20)15-23(21-13-7-8-14-22(21)24)25(17)16-18-9-3-2-4-10-18/h2-12,14,17,21,23-24H,13,15-16H2,1H3/t17-,21-,23+,24+/m1/s1
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n/an/a>5.80E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122554
PNG
(13-methylcarbonyloxy-20-azapentacyclo[7.6.5.02,7.0...)
Show SMILES CC(=O)OC1=CC[C@H]2[C@@H]3Cc4ccc(OC(C)=O)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:8.26,20.28,7.29,21.27,c:30,t:4,TLB:11:10:25.21:26.7,24:25:26.7:19.10.9,22:21:26.7:19.10.9,THB:6:7:25.21:19.10.9,18:19:25.21:26.7,(6.54,5.97,;6.54,4.43,;7.87,3.66,;5.21,3.66,;5.21,2.12,;6.56,1.35,;6.56,-.19,;5.21,-.96,;5.44,-4.84,;3.88,-4.84,;2.55,-4.07,;1.22,-4.84,;-.11,-4.07,;-.11,-2.52,;-1.45,-1.75,;-1.45,-.21,;-2.79,.58,;-.12,.56,;1.22,-1.75,;2.55,-2.52,;3.88,-1.75,;8.07,-3.32,;9.36,-4.16,;8.96,-5.65,;7.43,-5.72,;6.87,-4.28,;3.88,-.19,;3.88,1.35,)|
Show InChI InChI=1S/C23H25NO4/c1-13(25)27-16-6-5-15-10-22-18-8-7-17(28-14(2)26)12-20(18)23(19(15)11-16)21-4-3-9-24(21)22/h5-7,11-12,18,21-23H,3-4,8-10H2,1-2H3/t18-,21+,22+,23+/m1/s1
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n/an/a>6.00E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122532
PNG
(20-azapentacyclo[7.6.5.02,7.010,15.016,20]icosa-2(...)
Show SMILES C1C[C@H]2[C@@H]3C4=CC=CC[C@H]4[C@H](Cc4ccccc34)N2C1 |wU:10.20,3.3,9.9,2.21,c:6,t:4,TLB:16:17:18.2:4.9,THB:13:12:18.2:4.9,19:18:4.9:17.11.12,1:2:4.9:17.11.12,8:9:18.2:17.11.12,(8.93,-5.62,;9.33,-4.14,;8.05,-3.29,;3.86,-1.71,;3.86,-.17,;3.86,1.38,;5.19,2.15,;6.53,1.38,;6.53,-.17,;5.19,-.94,;5.41,-4.81,;3.86,-4.81,;2.53,-4.04,;1.2,-4.81,;-.14,-4.04,;-.14,-2.5,;1.2,-1.71,;2.53,-2.48,;6.85,-4.26,;7.41,-5.7,)|
Show InChI InChI=1S/C19H21N/c1-2-7-14-13(6-1)12-18-15-8-3-4-9-16(15)19(14)17-10-5-11-20(17)18/h1-4,6-7,9,15,17-19H,5,8,10-12H2/t15-,17+,18+,19+/m1/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122544
PNG
(4,13-difluoro-20-azapentacyclo[7.6.5.02,7.010,15.0...)
Show SMILES FC1=CC[C@H]2[C@@H]3Cc4ccc(F)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:5.20,14.22,4.23,15.21,c:24,t:1,TLB:16:15:20.4:13.7.6,8:7:19.15:20.4,18:19:20.4:13.7.6,THB:3:4:19.15:13.7.6,12:13:19.15:20.4,(5.72,2.88,;5.73,1.34,;7.07,.57,;7.07,-.96,;5.73,-1.73,;5.95,-5.6,;4.4,-5.6,;3.08,-4.83,;1.75,-5.6,;.4,-4.83,;.4,-3.29,;-.69,-2.19,;1.75,-2.52,;3.08,-3.29,;4.4,-2.52,;8.58,-4.09,;9.87,-4.92,;9.47,-6.41,;7.93,-6.49,;7.39,-5.04,;4.4,-.96,;4.4,.57,)|
Show InChI InChI=1S/C19H19F2N/c20-12-4-3-11-8-18-14-6-5-13(21)10-16(14)19(15(11)9-12)17-2-1-7-22(17)18/h3-5,9-10,14,17-19H,1-2,6-8H2/t14-,17+,18+,19+/m1/s1
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n/an/a>6.40E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122556
PNG
(17-cyclopropylmethyl-4,13-dimethoxy-16-methyl-17-a...)
Show SMILES COC1=CC[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@H]([C@@H](C)N3CC3CC3)C2=C1 |wU:16.26,6.20,5.4,17.18,c:28,t:2,TLB:9:8:19.17:24.5,20:19:24.5:15.8.7,THB:18:17:24.5:15.8.7,4:5:19.17:15.8.7,14:15:19.17:24.5,(4.9,4.64,;6.24,3.87,;6.24,2.33,;7.57,1.56,;7.57,.02,;6.24,-.75,;6.45,-4.63,;4.91,-4.63,;3.58,-3.86,;2.25,-4.63,;.91,-3.86,;.91,-2.31,;-.44,-1.52,;-.44,.02,;2.25,-1.54,;3.58,-2.31,;4.91,-1.54,;8.73,-2.8,;9.83,-1.7,;7.89,-4.07,;8.85,-5.28,;8.29,-6.72,;7.09,-7.66,;8.52,-8.24,;4.91,.02,;4.91,1.56,)|
Show InChI InChI=1S/C23H29NO2/c1-14-23-20-11-17(25-2)7-6-16(20)10-22(24(14)13-15-4-5-15)19-9-8-18(26-3)12-21(19)23/h6-8,11-12,14-15,19,22-23H,4-5,9-10,13H2,1-3H3/t14-,19-,22+,23+/m1/s1
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n/an/a 6.63E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122535
PNG
(4,13-dibromo-16,17-dimethyl-17-azatetracyclo[7.6.2...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(Br)=CC[C@H]3[C@H](Cc3ccc(Br)cc23)N1C |wU:2.2,10.21,9.9,1.0,c:6,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:20:19:3.9:18.12.11,8:9:19.1:18.12.11,13:12:19.1:3.9,(10.16,-3.34,;8.73,-3.89,;4.99,-2.64,;4.97,-1.1,;4.97,.44,;6.3,1.2,;6.3,2.74,;7.63,.44,;7.65,-1.1,;6.3,-1.87,;6.54,-5.74,;5,-5.74,;3.66,-4.97,;2.32,-5.74,;.99,-4.97,;.99,-3.43,;-.34,-2.66,;2.32,-2.66,;3.66,-3.43,;7.97,-5.23,;8.96,-6.4,)|
Show InChI InChI=1S/C18H19Br2N/c1-10-18-15-8-12(19)4-3-11(15)7-17(21(10)2)14-6-5-13(20)9-16(14)18/h3-5,8-10,14,17-18H,6-7H2,1-2H3/t10-,14-,17+,18+/m1/s1
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n/an/a 6.92E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122536
PNG
(4N,13N-di(4-bromobenzyl)-20-azapentacyclo[7.6.5.02...)
Show SMILES Brc1ccc(CNc2ccc3C[C@H]4[C@@H]5CCC(C=C5[C@@H]([C@@H]5CCCN45)c3c2)=NCc2ccc(Br)cc2)cc1 |w:27.32,wU:12.25,19.19,13.18,20.26,c:17,TLB:14:13:24.20:25.10.11,26:25:24.20:18.13,THB:21:20:18.13:25.10.11,23:24:18.13:25.10.11,9:10:24.20:18.13,(-1.25,-5.22,;.08,-5.99,;.08,-7.55,;1.41,-8.31,;2.74,-7.54,;4.08,-8.31,;4.08,-9.87,;5.42,-10.64,;5.42,-12.19,;6.77,-12.96,;8.1,-12.19,;9.43,-12.96,;10.97,-12.96,;10.76,-9.08,;12.1,-8.31,;12.1,-6.77,;10.76,-5.99,;9.43,-6.77,;9.43,-8.31,;9.43,-9.87,;13.62,-11.44,;14.9,-12.28,;14.5,-13.77,;12.98,-13.85,;12.42,-12.4,;8.1,-10.64,;6.77,-9.87,;10.76,-4.45,;12.09,-3.68,;12.09,-2.14,;13.43,-1.36,;13.43,.18,;12.1,.95,;12.1,2.49,;10.76,.16,;10.76,-1.36,;2.74,-6.01,;1.41,-5.24,)|
Show InChI InChI=1S/C33H33Br2N3/c34-24-8-3-21(4-9-24)19-36-26-12-7-23-16-32-28-14-13-27(37-20-22-5-10-25(35)11-6-22)18-30(28)33(29(23)17-26)31-2-1-15-38(31)32/h3-12,17-18,28,31-33,36H,1-2,13-16,19-20H2/t28-,31+,32+,33+/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122531
PNG
(20-azapentacyclo[7.6.5.02,7.010,15.016,20]icosa-2(...)
Show SMILES Oc1ccc2C[C@H]3[C@@H]4CCC(=O)C=C4[C@@H]([C@@H]4CCCN34)c2c1 |wU:6.20,14.14,7.13,15.21,c:12,TLB:8:7:19.15:20.4.5,21:20:19.15:13.7,THB:16:15:13.7:20.4.5,3:4:19.15:13.7,18:19:13.7:20.4.5,(-.13,-2.89,;1.2,-3.66,;1.2,-5.2,;2.54,-5.97,;3.85,-5.2,;5.19,-5.97,;6.74,-5.97,;6.52,-2.12,;7.85,-1.35,;7.85,.2,;6.52,.97,;6.5,2.51,;5.19,.2,;5.19,-1.35,;5.19,-2.89,;9.37,-4.45,;10.65,-5.31,;10.25,-6.78,;8.71,-6.85,;8.17,-5.42,;3.85,-3.66,;2.54,-2.89,)|
Show InChI InChI=1S/C19H21NO2/c21-12-4-3-11-8-18-14-6-5-13(22)10-16(14)19(15(11)9-12)17-2-1-7-20(17)18/h3-4,9-10,14,17-19,21H,1-2,5-8H2/t14-,17+,18+,19+/m1/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122543
PNG
(4,13-dibromo-20-azapentacyclo[7.6.5.02,7.010,15.01...)
Show SMILES BrC1=CC[C@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:5.20,14.22,4.23,15.21,c:24,t:1,TLB:16:15:20.4:13.7.6,8:7:19.15:20.4,18:19:20.4:13.7.6,THB:3:4:19.15:13.7.6,12:13:19.15:20.4,(13.03,-1.48,;13.04,-3.02,;14.38,-3.79,;14.38,-5.33,;13.04,-6.1,;13.26,-9.97,;11.71,-9.97,;10.38,-9.2,;9.05,-9.97,;7.71,-9.2,;7.71,-7.66,;6.37,-6.89,;9.05,-6.87,;10.38,-7.64,;11.71,-6.87,;15.9,-8.45,;17.18,-9.29,;16.78,-10.76,;15.24,-10.86,;14.7,-9.41,;11.71,-5.33,;11.71,-3.79,)|
Show InChI InChI=1S/C19H19Br2N/c20-12-4-3-11-8-18-14-6-5-13(21)10-16(14)19(15(11)9-12)17-2-1-7-22(17)18/h3-5,9-10,14,17-19H,1-2,6-8H2/t14-,17+,18+,19+/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122551
PNG
(21-azapentacyclo[7.6.6.02,7.010,15.016,21]henicosa...)
Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(C3=CC=CCC13)[C@]1([H])CCCCN21 |r,wU:9.10,wD:17.20,1.0,c:14,t:12,TLB:22:23:11.16:8.2.3,7:8:23.17:11.16,THB:4:3:23.17:11.16,12:11:23.17:8.2.3,15:16:23.17:8.2.3,19:17:11.16:8.2.3,(3.03,-4.16,;3.51,-5.96,;4.65,-4.68,;5.71,-5.37,;7.19,-5.8,;8.3,-4.73,;7.92,-3.23,;6.44,-2.81,;5.34,-3.88,;3.83,-3.21,;3.92,-5.08,;3.76,-1.71,;2.95,-.4,;1.41,-.45,;.68,-1.8,;1.8,-3.42,;3.03,-3.06,;2.44,-3.99,;2.65,-2.14,;1.29,-2.97,;-.17,-3.45,;-.48,-4.96,;.67,-5.99,;2.13,-5.5,)|
Show InChI InChI=1S/C20H23N/c1-2-8-15-14(7-1)13-19-16-9-3-4-10-17(16)20(15)18-11-5-6-12-21(18)19/h1-4,7-8,10,16,18-20H,5-6,9,11-13H2/t16-,18?,19+,20+/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122530
PNG
(4-[16,17-dimethyl-13-(1,4-oxazinan-4-yl)-17-azatet...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCOCC2)N1C)N1CCOCC1 |wU:2.2,9.26,8.8,1.0,c:5,t:3,TLB:0:1:3.8:16.11.10,15:16:23.1:3.8,THB:12:11:23.1:3.8,7:8:23.1:16.11.10,24:23:3.8:16.11.10,(11.11,-4.34,;10.03,-5.44,;6.19,-4.18,;6.19,-2.62,;6.19,-1.08,;7.52,-.31,;8.87,-1.08,;8.87,-2.62,;7.52,-3.39,;7.75,-7.26,;6.19,-7.26,;4.86,-6.49,;3.53,-7.26,;2.2,-6.49,;2.2,-4.95,;3.53,-4.18,;4.86,-4.95,;.87,-4.18,;.87,-2.64,;-.46,-1.87,;-1.8,-2.62,;-1.81,-4.16,;-.47,-4.95,;9.18,-6.7,;10.13,-7.91,;7.52,1.23,;8.87,2,;8.87,3.54,;7.54,4.31,;6.19,3.54,;6.19,2,)|
Show InChI InChI=1S/C26H35N3O2/c1-18-26-23-16-20(28-7-11-30-12-8-28)4-3-19(23)15-25(27(18)2)22-6-5-21(17-24(22)26)29-9-13-31-14-10-29/h3-5,16-18,22,25-26H,6-15H2,1-2H3/t18-,22-,25+,26+/m1/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122532
PNG
(20-azapentacyclo[7.6.5.02,7.010,15.016,20]icosa-2(...)
Show SMILES C1C[C@H]2[C@@H]3C4=CC=CC[C@H]4[C@H](Cc4ccccc34)N2C1 |wU:10.20,3.3,9.9,2.21,c:6,t:4,TLB:16:17:18.2:4.9,THB:13:12:18.2:4.9,19:18:4.9:17.11.12,1:2:4.9:17.11.12,8:9:18.2:17.11.12,(8.93,-5.62,;9.33,-4.14,;8.05,-3.29,;3.86,-1.71,;3.86,-.17,;3.86,1.38,;5.19,2.15,;6.53,1.38,;6.53,-.17,;5.19,-.94,;5.41,-4.81,;3.86,-4.81,;2.53,-4.04,;1.2,-4.81,;-.14,-4.04,;-.14,-2.5,;1.2,-1.71,;2.53,-2.48,;6.85,-4.26,;7.41,-5.7,)|
Show InChI InChI=1S/C19H21N/c1-2-7-14-13(6-1)12-18-15-8-3-4-9-16(15)19(14)17-10-5-11-20(17)18/h1-4,6-7,9,15,17-19H,5,8,10-12H2/t15-,17+,18+,19+/m1/s1
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n/an/a>7.80E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027008
PNG
(CHEMBL2112842)
Show SMILES [H][C@@]1(CC(C)C)N(C)[C@]2([H])Cc3ccccc3[C@@]1([H])c1ccccc21 |TLB:15:16:6.1:19.24,THB:12:11:6.1:19.24,7:6:19.24:16.10.11,20:19:6.1:16.10.11,2:1:19.24:16.10.11|
Show InChI InChI=1S/C21H25N/c1-14(2)12-20-21-16-9-5-4-8-15(16)13-19(22(20)3)17-10-6-7-11-18(17)21/h4-11,14,19-21H,12-13H2,1-3H3/t19-,20+,21+/m1/s1
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n/an/a>8.70E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122538
PNG
(16-methyl-17-azatetracyclo[7.6.2.02,7.010,15]hepta...)
Show SMILES C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1Cc1ccccc1 |wU:2.2,9.19,8.7,1.0,c:5,t:3,TLB:15:16:17.1:3.8,0:1:3.8:16.10.11,THB:12:11:17.1:3.8,18:17:3.8:16.10.11,7:8:17.1:16.10.11,(9.27,-.38,;7.84,-.93,;4.09,.32,;4.08,1.86,;4.08,3.4,;5.41,4.17,;6.74,3.41,;6.75,1.86,;5.41,1.09,;5.63,-2.78,;4.09,-2.78,;2.76,-2.01,;1.42,-2.78,;.09,-2.01,;.09,-.47,;1.42,.3,;2.76,-.47,;7.08,-2.27,;8.06,-3.44,;7.54,-4.88,;8.52,-6.05,;8.01,-7.5,;6.49,-7.78,;5.49,-6.59,;6.02,-5.14,)|
Show InChI InChI=1S/C24H25N/c1-17-24-20-12-6-5-11-19(20)15-23(21-13-7-8-14-22(21)24)25(17)16-18-9-3-2-4-10-18/h2-12,14,17,21,23-24H,13,15-16H2,1H3/t17-,21-,23+,24+/m1/s1
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n/an/a>8.80E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122535
PNG
(4,13-dibromo-16,17-dimethyl-17-azatetracyclo[7.6.2...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(Br)=CC[C@H]3[C@H](Cc3ccc(Br)cc23)N1C |wU:2.2,10.21,9.9,1.0,c:6,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:20:19:3.9:18.12.11,8:9:19.1:18.12.11,13:12:19.1:3.9,(10.16,-3.34,;8.73,-3.89,;4.99,-2.64,;4.97,-1.1,;4.97,.44,;6.3,1.2,;6.3,2.74,;7.63,.44,;7.65,-1.1,;6.3,-1.87,;6.54,-5.74,;5,-5.74,;3.66,-4.97,;2.32,-5.74,;.99,-4.97,;.99,-3.43,;-.34,-2.66,;2.32,-2.66,;3.66,-3.43,;7.97,-5.23,;8.96,-6.4,)|
Show InChI InChI=1S/C18H19Br2N/c1-10-18-15-8-12(19)4-3-11(15)7-17(21(10)2)14-6-5-13(20)9-16(14)18/h3-5,8-10,14,17-18H,6-7H2,1-2H3/t10-,14-,17+,18+/m1/s1
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n/an/a 8.84E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019351
PNG
((-)-Codeine | (Codeine) | (codeine)10-methoxy-4-me...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C |r,c:9|
Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
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n/an/a>9.30E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122522
PNG
(1-[16-methyl-17-azatetracyclo[7.6.2.02,7.010,15]he...)
Show SMILES C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1C(C)=O |wU:2.2,9.19,8.7,1.0,c:5,t:3,TLB:15:16:17.1:3.8,0:1:3.8:16.10.11,THB:12:11:17.1:3.8,18:17:3.8:16.10.11,7:8:17.1:16.10.11,(9.08,-1.82,;7.66,-2.36,;3.9,-1.13,;3.9,.41,;3.9,1.96,;5.23,2.73,;6.56,1.98,;6.56,.42,;5.23,-.36,;5.46,-4.22,;3.92,-4.22,;2.57,-3.45,;1.24,-4.22,;-.09,-3.45,;-.09,-1.91,;1.24,-1.13,;2.57,-1.9,;6.89,-3.71,;7.89,-4.88,;7.36,-6.33,;9.4,-4.62,)|
Show InChI InChI=1S/C19H21NO/c1-12-19-15-8-4-3-7-14(15)11-18(20(12)13(2)21)16-9-5-6-10-17(16)19/h3-8,10,12,16,18-19H,9,11H2,1-2H3/t12-,16-,18+,19+/m1/s1
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n/an/a>9.50E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122519
PNG
(16,17-dimethyl-13-methylcarbonyloxy-17-azatetracyc...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(OC(C)=O)=CC[C@H]3[C@H](Cc3ccc(OC(C)=O)cc23)N1C |wU:2.2,13.27,12.12,1.0,c:9,t:3,TLB:0:1:3.12:24.15.14,23:24:25.1:3.12,THB:16:15:25.1:3.12,26:25:3.12:24.15.14,11:12:25.1:24.15.14,(10.46,-3.93,;9.36,-5.02,;5.54,-3.76,;5.54,-2.22,;5.54,-.66,;6.87,.11,;6.87,1.65,;8.2,2.42,;8.2,3.96,;9.53,1.65,;8.2,-.66,;8.2,-2.22,;6.87,-2.99,;7.08,-6.84,;5.54,-6.84,;4.21,-6.07,;2.88,-6.84,;1.54,-6.07,;1.54,-4.53,;.19,-3.74,;.19,-2.2,;1.54,-1.45,;-1.14,-1.42,;2.88,-3.76,;4.21,-4.53,;8.52,-6.3,;9.48,-7.5,)|
Show InChI InChI=1S/C22H25NO4/c1-12-22-19-10-16(26-13(2)24)6-5-15(19)9-21(23(12)4)18-8-7-17(11-20(18)22)27-14(3)25/h5-7,10-12,18,21-22H,8-9H2,1-4H3/t12-,18-,21+,22+/m1/s1
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n/an/a>9.50E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122518
PNG
(17-allyl-16-methyl-17-azatetracyclo[7.6.2.02,7.010...)
Show SMILES C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1CC=C |wU:9.19,2.2,8.8,1.0,c:5,t:3,TLB:15:16:17.1:3.8,0:1:3.8:16.10.11,THB:12:11:17.1:3.8,18:17:3.8:16.10.11,7:8:17.1:16.10.11,(9.27,-1.22,;7.84,-1.78,;4.09,-.54,;4.08,1,;4.08,2.56,;5.41,3.33,;6.74,2.56,;6.75,1.02,;5.41,.23,;5.63,-3.62,;4.09,-3.62,;2.76,-2.85,;1.42,-3.62,;.09,-2.85,;.09,-1.31,;1.42,-.54,;2.76,-1.31,;7.08,-3.11,;8.06,-4.29,;7.54,-5.74,;8.52,-6.91,)|
Show InChI InChI=1S/C20H23N/c1-3-12-21-14(2)20-16-9-5-4-8-15(16)13-19(21)17-10-6-7-11-18(17)20/h3-9,11,14,17,19-20H,1,10,12-13H2,2H3/t14-,17-,19+,20+/m1/s1
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n/an/a>9.70E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122547
PNG
(2-[16-methyl-(16S)-17-azatetracyclo[7.6.2.02,7.010...)
Show SMILES [H][C@@]1(C)N(CCO)[C@]2([H])Cc3ccccc3[C@]1([H])C1=CC=CC[C@]21[H] |c:22,t:20,TLB:14:15:3.1:18.23,THB:11:10:3.1:18.23,19:18:3.1:15.9.10,4:3:18.23:15.9.10,2:1:18.23:15.9.10|
Show InChI InChI=1S/C19H23NO/c1-13-19-15-7-3-2-6-14(15)12-18(20(13)10-11-21)16-8-4-5-9-17(16)19/h2-7,9,13,16,18-19,21H,8,10-12H2,1H3/t13-,16?,18+,19?/m0/s1
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n/an/a>9.96E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122517
PNG
(16-methyl-(16S)-17-azatetracyclo[7.6.2.02,7.010,15...)
Show SMILES [H][C@@]1(C)N(CO)[C@]2([H])Cc3ccccc3[C@]1([H])C1=CC=CC[C@]21[H] |c:21,t:19,TLB:13:14:3.1:17.22,THB:10:9:3.1:17.22,18:17:3.1:14.8.9,4:3:17.22:14.8.9,2:1:17.22:14.8.9|
Show InChI InChI=1S/C18H21NO/c1-12-18-14-7-3-2-6-13(14)10-17(19(12)11-20)15-8-4-5-9-16(15)18/h2-7,9,12,15,17-18,20H,8,10-11H2,1H3/t12-,15-,17+,18?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122522
PNG
(1-[16-methyl-17-azatetracyclo[7.6.2.02,7.010,15]he...)
Show SMILES C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1C(C)=O |wU:2.2,9.19,8.7,1.0,c:5,t:3,TLB:15:16:17.1:3.8,0:1:3.8:16.10.11,THB:12:11:17.1:3.8,18:17:3.8:16.10.11,7:8:17.1:16.10.11,(9.08,-1.82,;7.66,-2.36,;3.9,-1.13,;3.9,.41,;3.9,1.96,;5.23,2.73,;6.56,1.98,;6.56,.42,;5.23,-.36,;5.46,-4.22,;3.92,-4.22,;2.57,-3.45,;1.24,-4.22,;-.09,-3.45,;-.09,-1.91,;1.24,-1.13,;2.57,-1.9,;6.89,-3.71,;7.89,-4.88,;7.36,-6.33,;9.4,-4.62,)|
Show InChI InChI=1S/C19H21NO/c1-12-19-15-8-4-3-7-14(15)11-18(20(12)13(2)21)16-9-5-6-10-17(16)19/h3-8,10,12,16,18-19H,9,11H2,1-2H3/t12-,16-,18+,19+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122529
PNG
(17-cyclopropylmethyl-4,5,12,13-tetramethoxy-16-met...)
Show SMILES COC1=C(OC)C=C2[C@@H](C1)[C@@H]1Cc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)N1CC1CC1 |wU:22.24,10.28,8.8,23.26,c:2,6,TLB:24:23:7.8:21.12.11,20:21:7.8:25.23,THB:9:8:25.23:21.12.11,26:25:7.8:21.12.11,13:12:7.8:25.23,(10.65,1.58,;9.32,2.35,;7.98,1.58,;6.63,2.35,;6.63,3.89,;5.3,4.66,;5.3,1.58,;5.3,.04,;6.63,-.73,;7.98,.04,;6.86,-4.6,;5.3,-4.6,;3.97,-3.83,;2.64,-4.6,;1.31,-3.83,;-.02,-4.6,;-1.35,-3.83,;1.31,-2.29,;-.02,-1.52,;-1.35,-2.29,;2.64,-1.52,;3.97,-2.29,;5.3,-1.52,;9.15,-2.78,;10.23,-1.68,;8.29,-4.04,;9.25,-5.25,;8.69,-6.68,;7.5,-7.64,;8.94,-8.2,)|
Show InChI InChI=1S/C25H33NO4/c1-14-25-17-10-22(28-3)21(27-2)9-16(17)8-20(26(14)13-15-6-7-15)18-11-23(29-4)24(30-5)12-19(18)25/h9-10,12,14-15,18,20,25H,6-8,11,13H2,1-5H3/t14-,18-,20+,25+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122544
PNG
(4,13-difluoro-20-azapentacyclo[7.6.5.02,7.010,15.0...)
Show SMILES FC1=CC[C@H]2[C@@H]3Cc4ccc(F)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:5.20,14.22,4.23,15.21,c:24,t:1,TLB:16:15:20.4:13.7.6,8:7:19.15:20.4,18:19:20.4:13.7.6,THB:3:4:19.15:13.7.6,12:13:19.15:20.4,(5.72,2.88,;5.73,1.34,;7.07,.57,;7.07,-.96,;5.73,-1.73,;5.95,-5.6,;4.4,-5.6,;3.08,-4.83,;1.75,-5.6,;.4,-4.83,;.4,-3.29,;-.69,-2.19,;1.75,-2.52,;3.08,-3.29,;4.4,-2.52,;8.58,-4.09,;9.87,-4.92,;9.47,-6.41,;7.93,-6.49,;7.39,-5.04,;4.4,-.96,;4.4,.57,)|
Show InChI InChI=1S/C19H19F2N/c20-12-4-3-11-8-18-14-6-5-13(21)10-16(14)19(15(11)9-12)17-2-1-7-22(17)18/h3-5,9-10,14,17-19H,1-2,6-8H2/t14-,17+,18+,19+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027006
PNG
(CHEMBL2112844)
Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@@]([H])(C)N2 |TLB:12:11:20.17:8.2.3,4:3:20.17:11.16,THB:19:17:11.16:8.2.3,7:8:20.17:11.16|
Show InChI InChI=1S/C17H17N/c1-11-17-13-7-3-2-6-12(13)10-16(18-11)14-8-4-5-9-15(14)17/h2-9,11,16-18H,10H2,1H3/t11-,16-,17+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027010
PNG
(CHEMBL2112838)
Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(C)N2C |TLB:4:3:20.17:11.16,12:11:20.17:8.2.3,THB:21:20:11.16:8.2.3,19:17:11.16:8.2.3,7:8:20.17:11.16|
Show InChI InChI=1S/C18H19N/c1-12-18-14-8-4-3-7-13(14)11-17(19(12)2)15-9-5-6-10-16(15)18/h3-10,12,17-18H,11H2,1-2H3/t12-,17+,18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122539
PNG
(4,13-dimethoxy-20-azapentacyclo[7.6.5.02,7.010,15....)
Show SMILES COC1=CC[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:6.22,16.24,5.25,17.23,c:26,t:2,TLB:18:17:22.5:15.8.7,9:8:21.17:22.5,20:21:22.5:15.8.7,THB:4:5:21.17:15.8.7,14:15:21.17:22.5,(9.96,-3.75,;11.28,-4.52,;11.28,-6.06,;12.63,-6.83,;12.63,-8.37,;11.28,-9.14,;11.51,-13,;9.96,-13,;8.63,-12.23,;7.3,-13,;5.96,-12.23,;5.96,-10.69,;4.62,-9.93,;3.29,-10.7,;7.3,-9.91,;8.63,-10.68,;9.96,-9.91,;14.14,-11.49,;15.42,-12.33,;15.03,-13.8,;13.49,-13.89,;12.94,-12.45,;9.96,-8.37,;9.96,-6.83,)|
Show InChI InChI=1S/C21H25NO2/c1-23-14-6-5-13-10-20-16-8-7-15(24-2)12-18(16)21(17(13)11-14)19-4-3-9-22(19)20/h5-7,11-12,16,19-21H,3-4,8-10H2,1-2H3/t16-,19+,20+,21+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122533
PNG
(17-cyclopropylmethyl-16-methyl-17-azatetracyclo[7....)
Show SMILES C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1CC1CC1 |wU:2.2,9.19,8.7,1.0,c:5,t:3,TLB:0:1:3.8:16.10.11,15:16:17.1:3.8,THB:7:8:17.1:16.10.11,12:11:17.1:3.8,18:17:3.8:16.10.11,(9.27,-1.06,;7.84,-1.61,;4.09,-.36,;4.08,1.18,;4.08,2.72,;5.41,3.49,;6.74,2.73,;6.75,1.18,;5.41,.41,;5.63,-3.46,;4.09,-3.46,;2.76,-2.69,;1.42,-3.46,;.09,-2.69,;.09,-1.14,;1.42,-.37,;2.76,-1.14,;7.08,-2.95,;8.06,-4.11,;7.54,-5.56,;6.35,-6.56,;7.8,-7.09,)|
Show InChI InChI=1S/C21H25N/c1-14-21-17-7-3-2-6-16(17)12-20(22(14)13-15-10-11-15)18-8-4-5-9-19(18)21/h2-7,9,14-15,18,20-21H,8,10-13H2,1H3/t14-,18-,20+,21+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027005
PNG
(CHEMBL2112843)
Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(C(C)C)N2C |TLB:4:3:22.17:11.16,12:11:22.17:8.2.3,THB:23:22:11.16:8.2.3,19:17:11.16:8.2.3,7:8:22.17:11.16|
Show InChI InChI=1S/C20H23N/c1-13(2)20-19-15-9-5-4-8-14(15)12-18(21(20)3)16-10-6-7-11-17(16)19/h4-11,13,18-20H,12H2,1-3H3/t18-,19+,20+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027009
PNG
(CHEMBL2112835)
Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(CCCO)N2C |TLB:4:3:23.17:11.16,12:11:23.17:8.2.3,THB:24:23:11.16:8.2.3,19:17:11.16:8.2.3,7:8:23.17:11.16|
Show InChI InChI=1S/C20H23NO/c1-21-18(11-6-12-22)20-15-8-3-2-7-14(15)13-19(21)16-9-4-5-10-17(16)20/h2-5,7-10,18-20,22H,6,11-13H2,1H3/t18-,19+,20-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122527
PNG
(16,17-dimethyl-(16S)-17-azatetracyclo[7.6.2.02,7.0...)
Show SMILES C[C@H]1C2C3=CC=CC[C@@H]3[C@@H](Cc3ccccc23)N1C |c:5,t:3,TLB:18:17:3.8:16.10.11,0:1:3.8:16.10.11|
Show InChI InChI=1S/C18H21N/c1-12-18-14-8-4-3-7-13(14)11-17(19(12)2)15-9-5-6-10-16(15)18/h3-8,10,12,15,17-18H,9,11H2,1-2H3/t12-,15?,17+,18?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122520
PNG
(4,5,12,13-tetramethoxy-16,17-dimethyl-17-azatetrac...)
Show SMILES COC1=C(OC)C=C2[C@@H](C1)[C@@H]1Cc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)N1C |wU:22.24,10.28,8.7,23.26,c:2,6,TLB:24:23:7.8:21.12.11,20:21:7.8:25.23,THB:26:25:7.8:21.12.11,9:8:25.23:21.12.11,13:12:7.8:25.23,(10.65,.11,;9.32,.88,;7.98,.11,;6.63,.88,;6.63,2.42,;5.3,3.19,;5.3,.11,;5.3,-1.45,;6.63,-2.22,;7.98,-1.45,;6.86,-6.07,;5.3,-6.07,;3.97,-5.3,;2.64,-6.07,;1.31,-5.3,;-.02,-6.07,;-1.35,-5.3,;1.31,-3.76,;-.02,-2.99,;-1.35,-3.76,;2.64,-2.99,;3.97,-3.76,;5.3,-2.99,;9.15,-4.25,;10.23,-3.16,;8.29,-5.53,;9.25,-6.73,)|
Show InChI InChI=1S/C22H29NO4/c1-12-22-14-9-19(25-4)18(24-3)8-13(14)7-17(23(12)2)15-10-20(26-5)21(27-6)11-16(15)22/h8-9,11-12,15,17,22H,7,10H2,1-6H3/t12-,15-,17+,22+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122534
PNG
(4,13-dibromo-17-cyclopropylmethyl-16-methyl-17-aza...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(Br)=CC[C@H]3[C@H](Cc3ccc(Br)cc23)N1CC1CC1 |wU:2.2,10.21,9.8,1.0,c:6,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:13:12:19.1:3.9,20:19:3.9:18.12.11,8:9:19.1:18.12.11,(10.17,-1.85,;8.73,-2.41,;4.99,-1.17,;4.98,.37,;4.98,1.93,;6.31,2.7,;6.31,4.24,;7.63,1.93,;7.65,.39,;6.31,-.4,;6.54,-4.25,;5,-4.25,;3.66,-3.48,;2.32,-4.25,;.99,-3.48,;.99,-1.94,;-.34,-1.17,;2.32,-1.17,;3.66,-1.94,;7.98,-3.74,;8.96,-4.92,;8.43,-6.37,;7.26,-7.35,;8.71,-7.89,)|
Show InChI InChI=1S/C21H23Br2N/c1-12-21-18-9-15(22)5-4-14(18)8-20(24(12)11-13-2-3-13)17-7-6-16(23)10-19(17)21/h4-6,9-10,12-13,17,20-21H,2-3,7-8,11H2,1H3/t12-,17-,20+,21+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122547
PNG
(2-[16-methyl-(16S)-17-azatetracyclo[7.6.2.02,7.010...)
Show SMILES [H][C@@]1(C)N(CCO)[C@]2([H])Cc3ccccc3[C@]1([H])C1=CC=CC[C@]21[H] |c:22,t:20,TLB:14:15:3.1:18.23,THB:11:10:3.1:18.23,19:18:3.1:15.9.10,4:3:18.23:15.9.10,2:1:18.23:15.9.10|
Show InChI InChI=1S/C19H23NO/c1-13-19-15-7-3-2-6-14(15)12-18(20(13)10-11-21)16-8-4-5-9-17(16)19/h2-7,9,13,16,18-19,21H,8,10-12H2,1H3/t13-,16?,18+,19?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027010
PNG
(CHEMBL2112838)
Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(C)N2C |TLB:4:3:20.17:11.16,12:11:20.17:8.2.3,THB:21:20:11.16:8.2.3,19:17:11.16:8.2.3,7:8:20.17:11.16|
Show InChI InChI=1S/C18H19N/c1-12-18-14-8-4-3-7-13(14)11-17(19(12)2)15-9-5-6-10-16(15)18/h3-10,12,17-18H,11H2,1-2H3/t12-,17+,18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122533
PNG
(17-cyclopropylmethyl-16-methyl-17-azatetracyclo[7....)
Show SMILES C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1CC1CC1 |wU:2.2,9.19,8.7,1.0,c:5,t:3,TLB:0:1:3.8:16.10.11,15:16:17.1:3.8,THB:7:8:17.1:16.10.11,12:11:17.1:3.8,18:17:3.8:16.10.11,(9.27,-1.06,;7.84,-1.61,;4.09,-.36,;4.08,1.18,;4.08,2.72,;5.41,3.49,;6.74,2.73,;6.75,1.18,;5.41,.41,;5.63,-3.46,;4.09,-3.46,;2.76,-2.69,;1.42,-3.46,;.09,-2.69,;.09,-1.14,;1.42,-.37,;2.76,-1.14,;7.08,-2.95,;8.06,-4.11,;7.54,-5.56,;6.35,-6.56,;7.8,-7.09,)|
Show InChI InChI=1S/C21H25N/c1-14-21-17-7-3-2-6-16(17)12-20(22(14)13-15-10-11-15)18-8-4-5-9-19(18)21/h2-7,9,14-15,18,20-21H,8,10-13H2,1H3/t14-,18-,20+,21+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122553
PNG
(4,13-dimethoxy-16,17-dimethyl-17-azatetracyclo[7.6...)
Show SMILES COC1=CC[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@H]([C@@H](C)N3C)C2=C1 |wU:16.22,6.20,5.23,17.18,c:24,t:2,TLB:9:8:19.17:21.5,20:19:21.5:15.8.7,THB:18:17:21.5:15.8.7,4:5:19.17:15.8.7,14:15:19.17:21.5,(4.9,3.17,;6.24,2.4,;6.24,.86,;7.57,.09,;7.57,-1.47,;6.24,-2.24,;6.45,-6.1,;4.91,-6.1,;3.58,-5.33,;2.25,-6.1,;.91,-5.33,;.91,-3.79,;-.44,-2.99,;-.44,-1.45,;2.25,-3.02,;3.58,-3.79,;4.91,-3.02,;8.73,-4.28,;9.83,-3.18,;7.89,-5.55,;8.85,-6.75,;4.91,-1.47,;4.91,.09,)|
Show InChI InChI=1S/C20H25NO2/c1-12-20-17-10-14(22-3)6-5-13(17)9-19(21(12)2)16-8-7-15(23-4)11-18(16)20/h5-7,10-12,16,19-20H,8-9H2,1-4H3/t12-,16-,19+,20+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027009
PNG
(CHEMBL2112835)
Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(CCCO)N2C |TLB:4:3:23.17:11.16,12:11:23.17:8.2.3,THB:24:23:11.16:8.2.3,19:17:11.16:8.2.3,7:8:23.17:11.16|
Show InChI InChI=1S/C20H23NO/c1-21-18(11-6-12-22)20-15-8-3-2-7-14(15)13-19(21)16-9-4-5-10-17(16)20/h2-5,7-10,18-20,22H,6,11-13H2,1H3/t18-,19+,20-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122530
PNG
(4-[16,17-dimethyl-13-(1,4-oxazinan-4-yl)-17-azatet...)
Show SMILES C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCOCC2)N1C)N1CCOCC1 |wU:2.2,9.26,8.8,1.0,c:5,t:3,TLB:0:1:3.8:16.11.10,15:16:23.1:3.8,THB:12:11:23.1:3.8,7:8:23.1:16.11.10,24:23:3.8:16.11.10,(11.11,-4.34,;10.03,-5.44,;6.19,-4.18,;6.19,-2.62,;6.19,-1.08,;7.52,-.31,;8.87,-1.08,;8.87,-2.62,;7.52,-3.39,;7.75,-7.26,;6.19,-7.26,;4.86,-6.49,;3.53,-7.26,;2.2,-6.49,;2.2,-4.95,;3.53,-4.18,;4.86,-4.95,;.87,-4.18,;.87,-2.64,;-.46,-1.87,;-1.8,-2.62,;-1.81,-4.16,;-.47,-4.95,;9.18,-6.7,;10.13,-7.91,;7.52,1.23,;8.87,2,;8.87,3.54,;7.54,4.31,;6.19,3.54,;6.19,2,)|
Show InChI InChI=1S/C26H35N3O2/c1-18-26-23-16-20(28-7-11-30-12-8-28)4-3-19(23)15-25(27(18)2)22-6-5-21(17-24(22)26)29-9-13-31-14-10-29/h3-5,16-18,22,25-26H,6-15H2,1-2H3/t18-,22-,25+,26+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122522
PNG
(1-[16-methyl-17-azatetracyclo[7.6.2.02,7.010,15]he...)
Show SMILES C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1C(C)=O |wU:2.2,9.19,8.7,1.0,c:5,t:3,TLB:15:16:17.1:3.8,0:1:3.8:16.10.11,THB:12:11:17.1:3.8,18:17:3.8:16.10.11,7:8:17.1:16.10.11,(9.08,-1.82,;7.66,-2.36,;3.9,-1.13,;3.9,.41,;3.9,1.96,;5.23,2.73,;6.56,1.98,;6.56,.42,;5.23,-.36,;5.46,-4.22,;3.92,-4.22,;2.57,-3.45,;1.24,-4.22,;-.09,-3.45,;-.09,-1.91,;1.24,-1.13,;2.57,-1.9,;6.89,-3.71,;7.89,-4.88,;7.36,-6.33,;9.4,-4.62,)|
Show InChI InChI=1S/C19H21NO/c1-12-19-15-8-4-3-7-14(15)11-18(20(12)13(2)21)16-9-5-6-10-17(16)19/h3-8,10,12,16,18-19H,9,11H2,1-2H3/t12-,16-,18+,19+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122517
PNG
(16-methyl-(16S)-17-azatetracyclo[7.6.2.02,7.010,15...)
Show SMILES [H][C@@]1(C)N(CO)[C@]2([H])Cc3ccccc3[C@]1([H])C1=CC=CC[C@]21[H] |c:21,t:19,TLB:13:14:3.1:17.22,THB:10:9:3.1:17.22,18:17:3.1:14.8.9,4:3:17.22:14.8.9,2:1:17.22:14.8.9|
Show InChI InChI=1S/C18H21NO/c1-12-18-14-7-3-2-6-13(14)10-17(19(12)11-20)15-8-4-5-9-16(15)18/h2-7,9,12,15,17-18,20H,8,10-11H2,1H3/t12-,15-,17+,18?/m0/s1
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Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122538
PNG
(16-methyl-17-azatetracyclo[7.6.2.02,7.010,15]hepta...)
Show SMILES C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1Cc1ccccc1 |wU:2.2,9.19,8.7,1.0,c:5,t:3,TLB:15:16:17.1:3.8,0:1:3.8:16.10.11,THB:12:11:17.1:3.8,18:17:3.8:16.10.11,7:8:17.1:16.10.11,(9.27,-.38,;7.84,-.93,;4.09,.32,;4.08,1.86,;4.08,3.4,;5.41,4.17,;6.74,3.41,;6.75,1.86,;5.41,1.09,;5.63,-2.78,;4.09,-2.78,;2.76,-2.01,;1.42,-2.78,;.09,-2.01,;.09,-.47,;1.42,.3,;2.76,-.47,;7.08,-2.27,;8.06,-3.44,;7.54,-4.88,;8.52,-6.05,;8.01,-7.5,;6.49,-7.78,;5.49,-6.59,;6.02,-5.14,)|
Show InChI InChI=1S/C24H25N/c1-17-24-20-12-6-5-11-19(20)15-23(21-13-7-8-14-22(21)24)25(17)16-18-9-3-2-4-10-18/h2-12,14,17,21,23-24H,13,15-16H2,1H3/t17-,21-,23+,24+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122520
PNG
(4,5,12,13-tetramethoxy-16,17-dimethyl-17-azatetrac...)
Show SMILES COC1=C(OC)C=C2[C@@H](C1)[C@@H]1Cc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)N1C |wU:22.24,10.28,8.7,23.26,c:2,6,TLB:24:23:7.8:21.12.11,20:21:7.8:25.23,THB:26:25:7.8:21.12.11,9:8:25.23:21.12.11,13:12:7.8:25.23,(10.65,.11,;9.32,.88,;7.98,.11,;6.63,.88,;6.63,2.42,;5.3,3.19,;5.3,.11,;5.3,-1.45,;6.63,-2.22,;7.98,-1.45,;6.86,-6.07,;5.3,-6.07,;3.97,-5.3,;2.64,-6.07,;1.31,-5.3,;-.02,-6.07,;-1.35,-5.3,;1.31,-3.76,;-.02,-2.99,;-1.35,-3.76,;2.64,-2.99,;3.97,-3.76,;5.3,-2.99,;9.15,-4.25,;10.23,-3.16,;8.29,-5.53,;9.25,-6.73,)|
Show InChI InChI=1S/C22H29NO4/c1-12-22-14-9-19(25-4)18(24-3)8-13(14)7-17(23(12)2)15-10-20(26-5)21(27-6)11-16(15)22/h8-9,11-12,15,17,22H,7,10H2,1-6H3/t12-,15-,17+,22+/m1/s1
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Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122529
PNG
(17-cyclopropylmethyl-4,5,12,13-tetramethoxy-16-met...)
Show SMILES COC1=C(OC)C=C2[C@@H](C1)[C@@H]1Cc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)N1CC1CC1 |wU:22.24,10.28,8.8,23.26,c:2,6,TLB:24:23:7.8:21.12.11,20:21:7.8:25.23,THB:9:8:25.23:21.12.11,26:25:7.8:21.12.11,13:12:7.8:25.23,(10.65,1.58,;9.32,2.35,;7.98,1.58,;6.63,2.35,;6.63,3.89,;5.3,4.66,;5.3,1.58,;5.3,.04,;6.63,-.73,;7.98,.04,;6.86,-4.6,;5.3,-4.6,;3.97,-3.83,;2.64,-4.6,;1.31,-3.83,;-.02,-4.6,;-1.35,-3.83,;1.31,-2.29,;-.02,-1.52,;-1.35,-2.29,;2.64,-1.52,;3.97,-2.29,;5.3,-1.52,;9.15,-2.78,;10.23,-1.68,;8.29,-4.04,;9.25,-5.25,;8.69,-6.68,;7.5,-7.64,;8.94,-8.2,)|
Show InChI InChI=1S/C25H33NO4/c1-14-25-17-10-22(28-3)21(27-2)9-16(17)8-20(26(14)13-15-6-7-15)18-11-23(29-4)24(30-5)12-19(18)25/h9-10,12,14-15,18,20,25H,6-8,11,13H2,1-5H3/t14-,18-,20+,25+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122529
PNG
(17-cyclopropylmethyl-4,5,12,13-tetramethoxy-16-met...)
Show SMILES COC1=C(OC)C=C2[C@@H](C1)[C@@H]1Cc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)N1CC1CC1 |wU:22.24,10.28,8.8,23.26,c:2,6,TLB:24:23:7.8:21.12.11,20:21:7.8:25.23,THB:9:8:25.23:21.12.11,26:25:7.8:21.12.11,13:12:7.8:25.23,(10.65,1.58,;9.32,2.35,;7.98,1.58,;6.63,2.35,;6.63,3.89,;5.3,4.66,;5.3,1.58,;5.3,.04,;6.63,-.73,;7.98,.04,;6.86,-4.6,;5.3,-4.6,;3.97,-3.83,;2.64,-4.6,;1.31,-3.83,;-.02,-4.6,;-1.35,-3.83,;1.31,-2.29,;-.02,-1.52,;-1.35,-2.29,;2.64,-1.52,;3.97,-2.29,;5.3,-1.52,;9.15,-2.78,;10.23,-1.68,;8.29,-4.04,;9.25,-5.25,;8.69,-6.68,;7.5,-7.64,;8.94,-8.2,)|
Show InChI InChI=1S/C25H33NO4/c1-14-25-17-10-22(28-3)21(27-2)9-16(17)8-20(26(14)13-15-6-7-15)18-11-23(29-4)24(30-5)12-19(18)25/h9-10,12,14-15,18,20,25H,6-8,11,13H2,1-5H3/t14-,18-,20+,25+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027006
PNG
(CHEMBL2112844)
Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@@]([H])(C)N2 |TLB:12:11:20.17:8.2.3,4:3:20.17:11.16,THB:19:17:11.16:8.2.3,7:8:20.17:11.16|
Show InChI InChI=1S/C17H17N/c1-11-17-13-7-3-2-6-12(13)10-16(18-11)14-8-4-5-9-15(14)17/h2-9,11,16-18H,10H2,1H3/t11-,16-,17+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122551
PNG
(21-azapentacyclo[7.6.6.02,7.010,15.016,21]henicosa...)
Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(C3=CC=CCC13)[C@]1([H])CCCCN21 |r,wU:9.10,wD:17.20,1.0,c:14,t:12,TLB:22:23:11.16:8.2.3,7:8:23.17:11.16,THB:4:3:23.17:11.16,12:11:23.17:8.2.3,15:16:23.17:8.2.3,19:17:11.16:8.2.3,(3.03,-4.16,;3.51,-5.96,;4.65,-4.68,;5.71,-5.37,;7.19,-5.8,;8.3,-4.73,;7.92,-3.23,;6.44,-2.81,;5.34,-3.88,;3.83,-3.21,;3.92,-5.08,;3.76,-1.71,;2.95,-.4,;1.41,-.45,;.68,-1.8,;1.8,-3.42,;3.03,-3.06,;2.44,-3.99,;2.65,-2.14,;1.29,-2.97,;-.17,-3.45,;-.48,-4.96,;.67,-5.99,;2.13,-5.5,)|
Show InChI InChI=1S/C20H23N/c1-2-8-15-14(7-1)13-19-16-9-3-4-10-17(16)20(15)18-11-5-6-12-21(18)19/h1-4,7-8,10,16,18-20H,5-6,9,11-13H2/t16-,18?,19+,20+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122524
PNG
(4,5,13,14-tetramethoxy-16,17-dimethyl-17-azatetrac...)
Show SMILES [H][C@@]1(C)N(C)[C@]2([H])Cc3cc(OC)c(OC)cc3[C@]1([H])C1=CC(OC)=C(C[C@]21[H])OC |c:26,t:22,TLB:16:17:20.27:3.1,THB:4:3:20.27:17.8.7,2:1:20.27:17.8.7,21:20:3.1:17.8.7,9:8:20.27:3.1|
Show InChI InChI=1S/C22H29NO4/c1-12-22-14-9-19(25-4)18(24-3)8-13(14)7-17(23(12)2)15-10-20(26-5)21(27-6)11-16(15)22/h8-9,11-12,15,17,22H,7,10H2,1-6H3/t12-,15?,17+,22?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122553
PNG
(4,13-dimethoxy-16,17-dimethyl-17-azatetracyclo[7.6...)
Show SMILES COC1=CC[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@H]([C@@H](C)N3C)C2=C1 |wU:16.22,6.20,5.23,17.18,c:24,t:2,TLB:9:8:19.17:21.5,20:19:21.5:15.8.7,THB:18:17:21.5:15.8.7,4:5:19.17:15.8.7,14:15:19.17:21.5,(4.9,3.17,;6.24,2.4,;6.24,.86,;7.57,.09,;7.57,-1.47,;6.24,-2.24,;6.45,-6.1,;4.91,-6.1,;3.58,-5.33,;2.25,-6.1,;.91,-5.33,;.91,-3.79,;-.44,-2.99,;-.44,-1.45,;2.25,-3.02,;3.58,-3.79,;4.91,-3.02,;8.73,-4.28,;9.83,-3.18,;7.89,-5.55,;8.85,-6.75,;4.91,-1.47,;4.91,.09,)|
Show InChI InChI=1S/C20H25NO2/c1-12-20-17-10-14(22-3)6-5-13(17)9-19(21(12)2)16-8-7-15(23-4)11-18(16)20/h5-7,10-12,16,19-20H,8-9H2,1-4H3/t12-,16-,19+,20+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122520
PNG
(4,5,12,13-tetramethoxy-16,17-dimethyl-17-azatetrac...)
Show SMILES COC1=C(OC)C=C2[C@@H](C1)[C@@H]1Cc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)N1C |wU:22.24,10.28,8.7,23.26,c:2,6,TLB:24:23:7.8:21.12.11,20:21:7.8:25.23,THB:26:25:7.8:21.12.11,9:8:25.23:21.12.11,13:12:7.8:25.23,(10.65,.11,;9.32,.88,;7.98,.11,;6.63,.88,;6.63,2.42,;5.3,3.19,;5.3,.11,;5.3,-1.45,;6.63,-2.22,;7.98,-1.45,;6.86,-6.07,;5.3,-6.07,;3.97,-5.3,;2.64,-6.07,;1.31,-5.3,;-.02,-6.07,;-1.35,-5.3,;1.31,-3.76,;-.02,-2.99,;-1.35,-3.76,;2.64,-2.99,;3.97,-3.76,;5.3,-2.99,;9.15,-4.25,;10.23,-3.16,;8.29,-5.53,;9.25,-6.73,)|
Show InChI InChI=1S/C22H29NO4/c1-12-22-14-9-19(25-4)18(24-3)8-13(14)7-17(23(12)2)15-10-20(26-5)21(27-6)11-16(15)22/h8-9,11-12,15,17,22H,7,10H2,1-6H3/t12-,15-,17+,22+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50019351
PNG
((-)-Codeine | (Codeine) | (codeine)10-methoxy-4-me...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C |r,c:9|
Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122527
PNG
(16,17-dimethyl-(16S)-17-azatetracyclo[7.6.2.02,7.0...)
Show SMILES C[C@H]1C2C3=CC=CC[C@@H]3[C@@H](Cc3ccccc23)N1C |c:5,t:3,TLB:18:17:3.8:16.10.11,0:1:3.8:16.10.11|
Show InChI InChI=1S/C18H21N/c1-12-18-14-8-4-3-7-13(14)11-17(19(12)2)15-9-5-6-10-16(15)18/h3-8,10,12,15,17-18H,9,11H2,1-2H3/t12-,15?,17+,18?/m0/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50122523
PNG
(4N,13N-dibenzyl-16,17-dimethyl-17-azatetracyclo[7....)
Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1C)=NCc1ccccc1 |w:27.32,wU:2.2,9.28,8.8,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:26:25:3.8:24.11.10,7:8:25.1:24.11.10,12:11:25.1:3.8,(11.14,-2.39,;10.05,-3.49,;6.2,-2.23,;6.2,-.68,;6.2,.88,;7.54,1.65,;8.88,.88,;8.88,-.68,;7.54,-1.45,;7.76,-5.32,;6.2,-5.32,;4.87,-4.54,;3.54,-5.32,;2.21,-4.54,;2.21,-3,;.85,-2.21,;-.49,-2.97,;-.49,-4.51,;-1.84,-5.27,;-1.84,-6.8,;-.51,-7.58,;.83,-6.8,;.83,-5.27,;3.54,-2.23,;4.87,-3,;9.2,-4.77,;10.16,-5.97,;7.54,3.2,;6.2,3.97,;4.87,3.2,;4.87,1.68,;3.56,.91,;2.23,1.68,;2.23,3.2,;3.55,3.97,)|
Show InChI InChI=1S/C32H35N3/c1-22-32-29-18-26(33-20-23-9-5-3-6-10-23)14-13-25(29)17-31(35(22)2)28-16-15-27(19-30(28)32)34-21-24-11-7-4-8-12-24/h3-14,18-19,22,28,31-33H,15-17,20-21H2,1-2H3/t22-,28-,31+,32+/m1/s1
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n/an/an/an/a 4.30E+3n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%