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Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'smith' and Initial = 'ta'   
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
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50218795
PNG
((1R,13S,14R)-24-(cyclopropylmethyl)-20-methoxy-4,2...)
Show SMILES COc1c(O)ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
Show InChI InChI=1S/C27H30N2O3/c1-32-25-22(30)9-8-17-12-23-27(31)13-19-18-4-2-3-5-20(18)28-21(19)14-26(27,24(17)25)10-11-29(23)15-16-6-7-16/h2-5,8-9,16,23,28,30-31H,6-7,10-15H2,1H3/t23-,26-,27-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]p-Cl-DPDPE from rat recombinant delta opioid receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
BindingDB Entry DOI: 10.7270/Q20002XJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50218796
PNG
(CHEMBL557978 | OXYMORPHINDOLE CHLORIDE | oxymorphi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]p-Cl-DPDPE from rat recombinant delta opioid receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
BindingDB Entry DOI: 10.7270/Q20002XJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50261134
PNG
(CHEMBL497550 | N-Ethyl-2-piperidin-1-yl-N-{2-[3-(t...)
Show SMILES CCN(CCN1CCCCC1)CCc1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C18H27F3N2O/c1-2-22(13-14-23-10-4-3-5-11-23)12-9-16-7-6-8-17(15-16)24-18(19,20)21/h6-8,15H,2-5,9-14H2,1H3
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2n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50261131
PNG
(CHEMBL498775 | N-Methyl-2-pyrrolidin-1-yl-N-{2-[3-...)
Show SMILES CN(CCN1CCCC1)CCc1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C16H23F3N2O/c1-20(11-12-21-8-2-3-9-21)10-7-14-5-4-6-15(13-14)22-16(17,18)19/h4-6,13H,2-3,7-12H2,1H3
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2n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50261084
PNG
(CHEMBL526849 | N-Ethyl-2-piperidin-1-yl-N-{2-[4-(t...)
Show SMILES CCN(CCN1CCCCC1)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H27F3N2O/c1-2-22(14-15-23-11-4-3-5-12-23)13-10-16-6-8-17(9-7-16)24-18(19,20)21/h6-9H,2-5,10-15H2,1H3
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2n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50261083
PNG
(CHEMBL498564 | N-Methyl-2-piperidin-1-yl-N-{2-[4-(...)
Show SMILES CN(CCN1CCCCC1)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H25F3N2O/c1-21(13-14-22-10-3-2-4-11-22)12-9-15-5-7-16(8-6-15)23-17(18,19)20/h5-8H,2-4,9-14H2,1H3
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2n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50261133
PNG
(CHEMBL497549 | N-Methyl-2-piperidin-1-yl-N-{2-[3-(...)
Show SMILES CN(CCN1CCCCC1)CCc1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C17H25F3N2O/c1-21(12-13-22-9-3-2-4-10-22)11-8-15-6-5-7-16(14-15)23-17(18,19)20/h5-7,14H,2-4,8-13H2,1H3
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3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50261087
PNG
(CHEMBL497338 | N-Methyl-2-piperidin-1-yl-N-{2-[2-(...)
Show SMILES CN(CCN1CCCCC1)CCc1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H25F3N2O/c1-21(13-14-22-10-5-2-6-11-22)12-9-15-7-3-4-8-16(15)23-17(18,19)20/h3-4,7-8H,2,5-6,9-14H2,1H3
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3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216982
PNG
(CHEMBL235239 | UMB-97 | UMB97)
Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21-,22-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from cloned mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
BindingDB Entry DOI: 10.7270/Q2C8291Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50218793
PNG
((1R,13S,14R)-20-methoxy-24-methyl-4,24-diazahexacy...)
Show SMILES COc1c(O)ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(27)22(29-2)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]p-Cl-DPDPE from rat recombinant delta opioid receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
BindingDB Entry DOI: 10.7270/Q20002XJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50261132
PNG
(CHEMBL497340 | N-Ethyl-2-pyrrolidin-1-yl-N-{2-[3-(...)
Show SMILES CCN(CCN1CCCC1)CCc1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C17H25F3N2O/c1-2-21(12-13-22-9-3-4-10-22)11-8-15-6-5-7-16(14-15)23-17(18,19)20/h5-7,14H,2-4,8-13H2,1H3
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5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50261130
PNG
(CHEMBL498774 | N-Ethyl-2-piperidin-1-yl-N-{2-[2-(t...)
Show SMILES CCN(CCN1CCCCC1)CCc1ccccc1OC(F)(F)F
Show InChI InChI=1S/C18H27F3N2O/c1-2-22(14-15-23-11-6-3-7-12-23)13-10-16-8-4-5-9-17(16)24-18(19,20)21/h4-5,8-9H,2-3,6-7,10-15H2,1H3
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6n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50260602
PNG
(CHEMBL493369 | N-(4-(trifluoromethoxy)phenethyl)-N...)
Show SMILES CN(CCN1CCCC1)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H23F3N2O/c1-20(12-13-21-9-2-3-10-21)11-8-14-4-6-15(7-5-14)22-16(17,18)19/h4-7H,2-3,8-13H2,1H3
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6n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50261082
PNG
(CHEMBL498566 | N-Ethyl-2-pyrrolidin-1-yl-N-{2-[4-(...)
Show SMILES CCN(CCN1CCCC1)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H25F3N2O/c1-2-21(13-14-22-10-3-4-11-22)12-9-15-5-7-16(8-6-15)23-17(18,19)20/h5-8H,2-4,9-14H2,1H3
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7n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50261085
PNG
(CHEMBL498565 | N-Methyl-2-pyrrolidin-1-yl-N-{2-[2-...)
Show SMILES CN(CCN1CCCC1)CCc1ccccc1OC(F)(F)F
Show InChI InChI=1S/C16H23F3N2O/c1-20(12-13-21-9-4-5-10-21)11-8-14-6-2-3-7-15(14)22-16(17,18)19/h2-3,6-7H,4-5,8-13H2,1H3
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10n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216981
PNG
(CHEMBL238017 | UMB-95 | UMB95)
Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21-,22-/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from cloned mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
BindingDB Entry DOI: 10.7270/Q2C8291Q
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50261086
PNG
(CHEMBL445977 | N-Ethyl-2-pyrrolidin-1-yl-N-{2-[2-(...)
Show SMILES CCN(CCN1CCCC1)CCc1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H25F3N2O/c1-2-21(13-14-22-10-5-6-11-22)12-9-15-7-3-4-8-16(15)23-17(18,19)20/h3-4,7-8H,2,5-6,9-14H2,1H3
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17n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50218792
PNG
((1R,13S,14R)-24-(cyclopropylmethyl)-19,20-dimethox...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC
Show InChI InChI=1S/C28H32N2O3/c1-32-23-10-9-18-13-24-28(31)14-20-19-5-3-4-6-21(19)29-22(20)15-27(28,25(18)26(23)33-2)11-12-30(24)16-17-7-8-17/h3-6,9-10,17,24,29,31H,7-8,11-16H2,1-2H3/t24-,27-,28-/m1/s1
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19n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]p-Cl-DPDPE from rat recombinant delta opioid receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
BindingDB Entry DOI: 10.7270/Q20002XJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216980
PNG
(CHEMBL401245 | UMB-94 | UMB94)
Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21+,22+/m1/s1
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20n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from cloned mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
BindingDB Entry DOI: 10.7270/Q2C8291Q
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50260601
PNG
(CHEMBL493384 | N-(4-methoxyphenethyl)-N-methyl-2-(...)
Show SMILES COc1ccc(CCN(C)CCN2CCCCC2)cc1
Show InChI InChI=1S/C17H28N2O/c1-18(14-15-19-11-4-3-5-12-19)13-10-16-6-8-17(20-2)9-7-16/h6-9H,3-5,10-15H2,1-2H3
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21n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216980
PNG
(CHEMBL401245 | UMB-94 | UMB94)
Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21+,22+/m1/s1
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25n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
BindingDB Entry DOI: 10.7270/Q2C8291Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216980
PNG
(CHEMBL401245 | UMB-94 | UMB94)
Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21+,22+/m1/s1
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26n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from cloned kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
BindingDB Entry DOI: 10.7270/Q2C8291Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216981
PNG
(CHEMBL238017 | UMB-95 | UMB95)
Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21-,22-/m0/s1
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28n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
BindingDB Entry DOI: 10.7270/Q2C8291Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216983
PNG
(CHEMBL392269 | UMB-96 | UMB96)
Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21+,22+/m0/s1
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34n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from cloned mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
BindingDB Entry DOI: 10.7270/Q2C8291Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50218794
PNG
((1R,13S,14R)-19,20-dimethoxy-24-methyl-4,24-diazah...)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC
Show InChI InChI=1S/C25H28N2O3/c1-27-11-10-24-14-19-17(16-6-4-5-7-18(16)26-19)13-25(24,28)21(27)12-15-8-9-20(29-2)23(30-3)22(15)24/h4-9,21,26,28H,10-14H2,1-3H3/t21-,24-,25-/m1/s1
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41n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]p-Cl-DPDPE from rat recombinant delta opioid receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
BindingDB Entry DOI: 10.7270/Q20002XJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50218795
PNG
((1R,13S,14R)-24-(cyclopropylmethyl)-20-methoxy-4,2...)
Show SMILES COc1c(O)ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
Show InChI InChI=1S/C27H30N2O3/c1-32-25-22(30)9-8-17-12-23-27(31)13-19-18-4-2-3-5-20(18)28-21(19)14-26(27,24(17)25)10-11-29(23)15-16-6-7-16/h2-5,8-9,16,23,28,30-31H,6-7,10-15H2,1H3/t23-,26-,27-/m1/s1
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58n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat recombinant mu opioid receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
BindingDB Entry DOI: 10.7270/Q20002XJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216981
PNG
(CHEMBL238017 | UMB-95 | UMB95)
Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21-,22-/m0/s1
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64n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from cloned kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
BindingDB Entry DOI: 10.7270/Q2C8291Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50218795
PNG
((1R,13S,14R)-24-(cyclopropylmethyl)-20-methoxy-4,2...)
Show SMILES COc1c(O)ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
Show InChI InChI=1S/C27H30N2O3/c1-32-25-22(30)9-8-17-12-23-27(31)13-19-18-4-2-3-5-20(18)28-21(19)14-26(27,24(17)25)10-11-29(23)15-16-6-7-16/h2-5,8-9,16,23,28,30-31H,6-7,10-15H2,1H3/t23-,26-,27-/m1/s1
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79n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
BindingDB Entry DOI: 10.7270/Q20002XJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50218796
PNG
(CHEMBL557978 | OXYMORPHINDOLE CHLORIDE | oxymorphi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
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105n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat recombinant mu opioid receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
BindingDB Entry DOI: 10.7270/Q20002XJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216983
PNG
(CHEMBL392269 | UMB-96 | UMB96)
Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21+,22+/m0/s1
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110n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
BindingDB Entry DOI: 10.7270/Q2C8291Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216982
PNG
(CHEMBL235239 | UMB-97 | UMB97)
Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21-,22-/m1/s1
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120n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
BindingDB Entry DOI: 10.7270/Q2C8291Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50261087
PNG
(CHEMBL497338 | N-Methyl-2-piperidin-1-yl-N-{2-[2-(...)
Show SMILES CN(CCN1CCCCC1)CCc1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H25F3N2O/c1-21(13-14-22-10-5-2-6-11-22)12-9-15-7-3-4-8-16(15)23-17(18,19)20/h3-4,7-8H,2,5-6,9-14H2,1H3
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146n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D2 receptor (unknown origin)


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216983
PNG
(CHEMBL392269 | UMB-96 | UMB96)
Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21+,22+/m0/s1
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170n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from cloned kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
BindingDB Entry DOI: 10.7270/Q2C8291Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50261130
PNG
(CHEMBL498774 | N-Ethyl-2-piperidin-1-yl-N-{2-[2-(t...)
Show SMILES CCN(CCN1CCCCC1)CCc1ccccc1OC(F)(F)F
Show InChI InChI=1S/C18H27F3N2O/c1-2-22(14-15-23-11-6-3-7-12-23)13-10-16-8-4-5-9-17(16)24-18(19,20)21/h4-5,8-9H,2-3,6-7,10-15H2,1H3
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213n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D2 receptor (unknown origin)


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216982
PNG
(CHEMBL235239 | UMB-97 | UMB97)
Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21-,22-/m1/s1
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230n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from cloned kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
BindingDB Entry DOI: 10.7270/Q2C8291Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50261086
PNG
(CHEMBL445977 | N-Ethyl-2-pyrrolidin-1-yl-N-{2-[2-(...)
Show SMILES CCN(CCN1CCCC1)CCc1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H25F3N2O/c1-2-21(13-14-22-10-5-6-11-22)12-9-15-7-3-4-8-16(15)23-17(18,19)20/h3-4,7-8H,2,5-6,9-14H2,1H3
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266n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D2 receptor (unknown origin)


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50218793
PNG
((1R,13S,14R)-20-methoxy-24-methyl-4,24-diazahexacy...)
Show SMILES COc1c(O)ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(27)22(29-2)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1
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474n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat recombinant mu opioid receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
BindingDB Entry DOI: 10.7270/Q20002XJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50218796
PNG
(CHEMBL557978 | OXYMORPHINDOLE CHLORIDE | oxymorphi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
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515n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
BindingDB Entry DOI: 10.7270/Q20002XJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50261085
PNG
(CHEMBL498565 | N-Methyl-2-pyrrolidin-1-yl-N-{2-[2-...)
Show SMILES CN(CCN1CCCC1)CCc1ccccc1OC(F)(F)F
Show InChI InChI=1S/C16H23F3N2O/c1-20(12-13-21-9-4-5-10-21)11-8-14-6-2-3-7-15(14)22-16(17,18)19/h2-3,6-7H,4-5,8-13H2,1H3
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516n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D2 receptor (unknown origin)


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50218793
PNG
((1R,13S,14R)-20-methoxy-24-methyl-4,24-diazahexacy...)
Show SMILES COc1c(O)ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(27)22(29-2)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1
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582n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
BindingDB Entry DOI: 10.7270/Q20002XJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50218792
PNG
((1R,13S,14R)-24-(cyclopropylmethyl)-19,20-dimethox...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC
Show InChI InChI=1S/C28H32N2O3/c1-32-23-10-9-18-13-24-28(31)14-20-19-5-3-4-6-21(19)29-22(20)15-27(28,25(18)26(23)33-2)11-12-30(24)16-17-7-8-17/h3-6,9-10,17,24,29,31H,7-8,11-16H2,1-2H3/t24-,27-,28-/m1/s1
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1.44E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
BindingDB Entry DOI: 10.7270/Q20002XJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50218792
PNG
((1R,13S,14R)-24-(cyclopropylmethyl)-19,20-dimethox...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC
Show InChI InChI=1S/C28H32N2O3/c1-32-23-10-9-18-13-24-28(31)14-20-19-5-3-4-6-21(19)29-22(20)15-27(28,25(18)26(23)33-2)11-12-30(24)16-17-7-8-17/h3-6,9-10,17,24,29,31H,7-8,11-16H2,1-2H3/t24-,27-,28-/m1/s1
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1.72E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat recombinant mu opioid receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
BindingDB Entry DOI: 10.7270/Q20002XJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50261084
PNG
(CHEMBL526849 | N-Ethyl-2-piperidin-1-yl-N-{2-[4-(t...)
Show SMILES CCN(CCN1CCCCC1)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H27F3N2O/c1-2-22(14-15-23-11-4-3-5-12-23)13-10-16-6-8-17(9-7-16)24-18(19,20)21/h6-9H,2-5,10-15H2,1H3
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2.39E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity at DAT (unknown origin)


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50261084
PNG
(CHEMBL526849 | N-Ethyl-2-piperidin-1-yl-N-{2-[4-(t...)
Show SMILES CCN(CCN1CCCCC1)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H27F3N2O/c1-2-22(14-15-23-11-4-3-5-12-23)13-10-16-6-8-17(9-7-16)24-18(19,20)21/h6-9H,2-5,10-15H2,1H3
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3.30E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity at SERT (unknown origin)


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50261082
PNG
(CHEMBL498566 | N-Ethyl-2-pyrrolidin-1-yl-N-{2-[4-(...)
Show SMILES CCN(CCN1CCCC1)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H25F3N2O/c1-2-21(13-14-22-10-3-4-11-22)12-9-15-5-7-16(8-6-15)23-17(18,19)20/h5-8H,2-4,9-14H2,1H3
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3.79E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity at SERT (unknown origin)


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50261083
PNG
(CHEMBL498564 | N-Methyl-2-piperidin-1-yl-N-{2-[4-(...)
Show SMILES CN(CCN1CCCCC1)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H25F3N2O/c1-21(13-14-22-10-3-2-4-11-22)12-9-15-5-7-16(8-6-15)23-17(18,19)20/h5-8H,2-4,9-14H2,1H3
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4.12E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity at DAT (unknown origin)


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50261082
PNG
(CHEMBL498566 | N-Ethyl-2-pyrrolidin-1-yl-N-{2-[4-(...)
Show SMILES CCN(CCN1CCCC1)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H25F3N2O/c1-2-21(13-14-22-10-3-4-11-22)12-9-15-5-7-16(8-6-15)23-17(18,19)20/h5-8H,2-4,9-14H2,1H3
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5.53E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity at DAT (unknown origin)


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50260602
PNG
(CHEMBL493369 | N-(4-(trifluoromethoxy)phenethyl)-N...)
Show SMILES CN(CCN1CCCC1)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H23F3N2O/c1-20(12-13-21-9-2-3-10-21)11-8-14-4-6-15(7-5-14)22-16(17,18)19/h4-7H,2-3,8-13H2,1H3
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6.33E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity at DAT (unknown origin)


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50218794
PNG
((1R,13S,14R)-19,20-dimethoxy-24-methyl-4,24-diazah...)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC
Show InChI InChI=1S/C25H28N2O3/c1-27-11-10-24-14-19-17(16-6-4-5-7-18(16)26-19)13-25(24,28)21(27)12-15-8-9-20(29-2)23(30-3)22(15)24/h4-9,21,26,28H,10-14H2,1-3H3/t21-,24-,25-/m1/s1
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>7.00E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
BindingDB Entry DOI: 10.7270/Q20002XJ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50260602
PNG
(CHEMBL493369 | N-(4-(trifluoromethoxy)phenethyl)-N...)
Show SMILES CN(CCN1CCCC1)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H23F3N2O/c1-20(12-13-21-9-2-3-10-21)11-8-14-4-6-15(7-5-14)22-16(17,18)19/h4-7H,2-3,8-13H2,1H3
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7.11E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity at SERT (unknown origin)


J Med Chem 51: 3322-5 (2008)


Article DOI: 10.1021/jm7013666
BindingDB Entry DOI: 10.7270/Q24749N1
More data for this
Ligand-Target Pair
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