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Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'caulfield' and Initial = 'wl'   
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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416116
PNG
(CHEMBL1084315)
Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)N1CC(C(=O)N2CCCNCC2)c2ccccc12
Show InChI InChI=1S/C25H27N3O4S/c1-32-23-11-12-24(20-9-3-2-8-19(20)23)33(30,31)28-17-21(18-7-4-5-10-22(18)28)25(29)27-15-6-13-26-14-16-27/h2-5,7-12,21,26H,6,13-17H2,1H3
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1.26n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416120
PNG
(CHEMBL1082484)
Show SMILES CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1cccc2c(Cl)cccc12
Show InChI InChI=1S/C26H28ClN3O3S/c1-28-15-13-18(14-16-28)29(2)26(31)22-17-30(24-11-4-3-7-20(22)24)34(32,33)25-12-6-8-19-21(25)9-5-10-23(19)27/h3-12,18,22H,13-17H2,1-2H3
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5.01n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416108
PNG
(CHEMBL1082818)
Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)N1CC(C(=O)N(C)C2CCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C27H31N3O4S/c1-28-16-14-19(15-17-28)29(2)27(31)23-18-30(24-11-7-6-8-20(23)24)35(32,33)26-13-12-25(34-3)21-9-4-5-10-22(21)26/h4-13,19,23H,14-18H2,1-3H3
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7.94n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416114
PNG
(CHEMBL1085608)
Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)N1CC(C(=O)N2CCNCC2)c2ccccc12
Show InChI InChI=1S/C24H25N3O4S/c1-31-22-10-11-23(19-8-3-2-7-18(19)22)32(29,30)27-16-20(17-6-4-5-9-21(17)27)24(28)26-14-12-25-13-15-26/h2-11,20,25H,12-16H2,1H3
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7.94n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416131
PNG
(CHEMBL1085965)
Show SMILES CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H26F3N3O4S/c1-27-13-11-16(12-14-27)28(2)22(30)20-15-29(21-6-4-3-5-19(20)21)34(31,32)18-9-7-17(8-10-18)33-23(24,25)26/h3-10,16,20H,11-15H2,1-2H3
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19.9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416117
PNG
(CHEMBL1084316)
Show SMILES CCN(CC)CCNC(=O)C1CN(c2ccccc12)S(=O)(=O)c1ccc(OC)c2ccccc12
Show InChI InChI=1S/C26H31N3O4S/c1-4-28(5-2)17-16-27-26(30)22-18-29(23-13-9-8-10-19(22)23)34(31,32)25-15-14-24(33-3)20-11-6-7-12-21(20)25/h6-15,22H,4-5,16-18H2,1-3H3,(H,27,30)
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19.9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416109
PNG
(CHEMBL1085835)
Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)N1CC(C(=O)NC2CCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C26H29N3O4S/c1-28-15-13-18(14-16-28)27-26(30)22-17-29(23-10-6-5-7-19(22)23)34(31,32)25-12-11-24(33-2)20-8-3-4-9-21(20)25/h3-12,18,22H,13-17H2,1-2H3,(H,27,30)
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25.1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416122
PNG
(CHEMBL1085351)
Show SMILES CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H29N3O3S/c1-27-15-13-21(14-16-27)28(2)26(30)24-18-29(25-10-6-5-9-23(24)25)33(31,32)22-12-11-19-7-3-4-8-20(19)17-22/h3-12,17,21,24H,13-16,18H2,1-2H3
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25.1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416130
PNG
(CHEMBL1083909)
Show SMILES CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H26F3N3O3S/c1-27-13-11-17(12-14-27)28(2)22(30)20-15-29(21-6-4-3-5-19(20)21)33(31,32)18-9-7-16(8-10-18)23(24,25)26/h3-10,17,20H,11-15H2,1-2H3
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25.1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416132
PNG
(CHEMBL1083297)
Show SMILES CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H26F3N3O3S/c1-27-12-10-17(11-13-27)28(2)22(30)20-15-29(21-9-4-3-8-19(20)21)33(31,32)18-7-5-6-16(14-18)23(24,25)26/h3-9,14,17,20H,10-13,15H2,1-2H3
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25.1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416113
PNG
(CHEMBL1082494)
Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)N1CC(C(=O)NC2CC3CCC(C2)N3C)c2ccccc12 |TLB:20:21:24.25:28|
Show InChI InChI=1S/C28H31N3O4S/c1-30-19-11-12-20(30)16-18(15-19)29-28(32)24-17-31(25-10-6-5-7-21(24)25)36(33,34)27-14-13-26(35-2)22-8-3-4-9-23(22)27/h3-10,13-14,18-20,24H,11-12,15-17H2,1-2H3,(H,29,32)
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31.6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416136
PNG
(CHEMBL1084483)
Show SMILES CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C28H31N3O3S/c1-29-17-15-23(16-18-29)30(2)28(32)26-20-31(27-14-7-6-13-25(26)27)35(33,34)24-12-8-11-22(19-24)21-9-4-3-5-10-21/h3-14,19,23,26H,15-18,20H2,1-2H3
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31.6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416123
PNG
(CHEMBL1085352)
Show SMILES CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)C1=CC2CCOC2C=C1 |c:34,t:26|
Show InChI InChI=1S/C24H31N3O4S/c1-25-12-9-18(10-13-25)26(2)24(28)21-16-27(22-6-4-3-5-20(21)22)32(29,30)19-7-8-23-17(15-19)11-14-31-23/h3-8,15,17-18,21,23H,9-14,16H2,1-2H3
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31.6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416121
PNG
(CHEMBL1082485)
Show SMILES CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H29N3O3S/c1-27-16-14-20(15-17-27)28(2)26(30)23-18-29(24-12-6-5-11-22(23)24)33(31,32)25-13-7-9-19-8-3-4-10-21(19)25/h3-13,20,23H,14-18H2,1-2H3
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31.6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416118
PNG
(CHEMBL1083122)
Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)N1CC(C(=O)NCCCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C27H31N3O5S/c1-34-25-11-12-26(22-9-3-2-8-21(22)25)36(32,33)30-19-23(20-7-4-5-10-24(20)30)27(31)28-13-6-14-29-15-17-35-18-16-29/h2-5,7-12,23H,6,13-19H2,1H3,(H,28,31)
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31.6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416124
PNG
(CHEMBL1085353)
Show SMILES CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C24H29N3O5S/c1-25-11-9-17(10-12-25)26(2)24(28)20-16-27(21-6-4-3-5-19(20)21)33(29,30)18-7-8-22-23(15-18)32-14-13-31-22/h3-8,15,17,20H,9-14,16H2,1-2H3
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50.1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416110
PNG
(CHEMBL1085836)
Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)N1CC(C(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C32H33N3O4S/c1-39-30-15-16-31(27-13-6-5-12-26(27)30)40(37,38)35-22-28(25-11-7-8-14-29(25)35)32(36)33-24-17-19-34(20-18-24)21-23-9-3-2-4-10-23/h2-16,24,28H,17-22H2,1H3,(H,33,36)
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50.1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416127
PNG
(CHEMBL1082765)
Show SMILES CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1sc2ccc(Cl)cc2c1C
Show InChI InChI=1S/C25H28ClN3O3S2/c1-16-20-14-17(26)8-9-23(20)33-25(16)34(31,32)29-15-21(19-6-4-5-7-22(19)29)24(30)28(3)18-10-12-27(2)13-11-18/h4-9,14,18,21H,10-13,15H2,1-3H3
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63.1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416115
PNG
(CHEMBL1084614)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1ccc(OC)c2ccccc12
Show InChI InChI=1S/C31H31N3O5S/c1-38-23-9-7-8-22(20-23)32-16-18-33(19-17-32)31(35)27-21-34(28-13-6-5-10-24(27)28)40(36,37)30-15-14-29(39-2)25-11-3-4-12-26(25)30/h3-15,20,27H,16-19,21H2,1-2H3
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63.1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416119
PNG
(CHEMBL1082483)
Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)N1CC(C(=O)NCCCn2ccnc2)c2ccccc12
Show InChI InChI=1S/C26H26N4O4S/c1-34-24-11-12-25(21-9-3-2-8-20(21)24)35(32,33)30-17-22(19-7-4-5-10-23(19)30)26(31)28-13-6-15-29-16-14-27-18-29/h2-5,7-12,14,16,18,22H,6,13,15,17H2,1H3,(H,28,31)
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79.4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416112
PNG
(CHEMBL1085362)
Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)N1CC(C(=O)N2CC(CN)C2)c2ccccc12
Show InChI InChI=1S/C24H25N3O4S/c1-31-22-10-11-23(19-8-3-2-7-18(19)22)32(29,30)27-15-20(17-6-4-5-9-21(17)27)24(28)26-13-16(12-25)14-26/h2-11,16,20H,12-15,25H2,1H3
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79.4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416138
PNG
(CHEMBL1084317)
Show SMILES CCN(CC)CCCNC(=O)C1CN(c2ccccc12)S(=O)(=O)c1ccc(OC)c2ccccc12
Show InChI InChI=1S/C27H33N3O4S/c1-4-29(5-2)18-10-17-28-27(31)23-19-30(24-14-9-8-11-20(23)24)35(32,33)26-16-15-25(34-3)21-12-6-7-13-22(21)26/h6-9,11-16,23H,4-5,10,17-19H2,1-3H3,(H,28,31)
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79.4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416134
PNG
(CHEMBL1084214)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N1CC(C(=O)N(C)C2CCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C26H35N3O4S/c1-17-15-24(33-6)18(2)19(3)25(17)34(31,32)29-16-22(21-9-7-8-10-23(21)29)26(30)28(5)20-11-13-27(4)14-12-20/h7-10,15,20,22H,11-14,16H2,1-6H3
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100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416133
PNG
(CHEMBL1083298)
Show SMILES COc1ccc(c(C)c1C)S(=O)(=O)N1CC(C(=O)N(C)C2CCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C25H33N3O4S/c1-17-18(2)24(11-10-23(17)32-5)33(30,31)28-16-21(20-8-6-7-9-22(20)28)25(29)27(4)19-12-14-26(3)15-13-19/h6-11,19,21H,12-16H2,1-5H3
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100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416126
PNG
(CHEMBL1082764)
Show SMILES CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1cccc2nsnc12
Show InChI InChI=1S/C22H25N5O3S2/c1-25-12-10-15(11-13-25)26(2)22(28)17-14-27(19-8-4-3-6-16(17)19)32(29,30)20-9-5-7-18-21(20)24-31-23-18/h3-9,15,17H,10-14H2,1-2H3
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126n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416135
PNG
(CHEMBL1084482)
Show SMILES CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H31N3O3S/c1-29-18-16-23(17-19-29)30(2)28(32)26-20-31(27-11-7-6-10-25(26)27)35(33,34)24-14-12-22(13-15-24)21-8-4-3-5-9-21/h3-15,23,26H,16-20H2,1-2H3
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126n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416111
PNG
(CHEMBL1085361)
Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)N1CC(C(=O)N2CC(N)C2)c2ccccc12
Show InChI InChI=1S/C23H23N3O4S/c1-30-21-10-11-22(18-8-3-2-7-17(18)21)31(28,29)26-14-19(16-6-4-5-9-20(16)26)23(27)25-12-15(24)13-25/h2-11,15,19H,12-14,24H2,1H3
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158n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416129
PNG
(CHEMBL1082766)
Show SMILES CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C20H25N3O3S2/c1-21-11-9-15(10-12-21)22(2)20(24)17-14-23(18-7-4-3-6-16(17)18)28(25,26)19-8-5-13-27-19/h3-8,13,15,17H,9-12,14H2,1-2H3
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316n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416125
PNG
(CHEMBL1085354)
Show SMILES CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1cccc2cc(C)cnc12
Show InChI InChI=1S/C26H30N4O3S/c1-18-15-19-7-6-10-24(25(19)27-16-18)34(32,33)30-17-22(21-8-4-5-9-23(21)30)26(31)29(3)20-11-13-28(2)14-12-20/h4-10,15-16,20,22H,11-14,17H2,1-3H3
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316n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416128
PNG
(CHEMBL1082767)
Show SMILES CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H27N3O3S/c1-23-14-12-17(13-15-23)24(2)22(26)20-16-25(21-11-7-6-10-19(20)21)29(27,28)18-8-4-3-5-9-18/h3-11,17,20H,12-16H2,1-2H3
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316n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50416137
PNG
(CHEMBL1084215)
Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)N1C[C@H](C(=O)N2CCCNCC2)c2ccccc12 |r|
Show InChI InChI=1S/C25H27N3O4S/c1-32-23-11-12-24(20-9-3-2-8-19(20)23)33(30,31)28-17-21(18-7-4-5-10-22(18)28)25(29)27-15-6-13-26-14-16-27/h2-5,7-12,21,26H,6,13-17H2,1H3/t21-/m0/s1
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1.26E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetolide from human ERG channel in HEK293 cells


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50077089
PNG
(4-[(S)-((2S,5R)-4-Benzo[1,3]dioxol-5-ylmethyl-2,5-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(Cc2ccc3OCOc3c2)C[C@@H]1C)c1ccccc1
Show InChI InChI=1S/C32H39N3O3/c1-5-33(6-2)32(36)28-15-13-27(14-16-28)31(26-10-8-7-9-11-26)35-20-23(3)34(19-24(35)4)21-25-12-17-29-30(18-25)38-22-37-29/h7-18,23-24,31H,5-6,19-22H2,1-4H3/t23-,24+,31+/m1/s1
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n/an/a 0.540n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 9: 1329-34 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50077083
PNG
(4-[(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccccc1
Show InChI InChI=1S/C30H35N3O3/c1-3-32(4-2)30(34)26-13-11-25(12-14-26)29(24-8-6-5-7-9-24)33-18-16-31(17-19-33)21-23-10-15-27-28(20-23)36-22-35-27/h5-15,20,29H,3-4,16-19,21-22H2,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 9: 1329-34 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50077085
PNG
(CHEMBL27432 | N,N-Diethyl-4-{phenyl-[4-(1,2,3,4-te...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CC2CCc3ccccc3C2)CC1)c1ccccc1
Show InChI InChI=1S/C33H41N3O/c1-3-35(4-2)33(37)30-18-16-29(17-19-30)32(28-11-6-5-7-12-28)36-22-20-34(21-23-36)25-26-14-15-27-10-8-9-13-31(27)24-26/h5-13,16-19,26,32H,3-4,14-15,20-25H2,1-2H3
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n/an/a 1.80n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 9: 1329-34 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 9: 1329-34 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50077066
PNG
(4-[(4-Allyl-piperazin-1-yl)-phenyl-methyl]-N,N-die...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CC=C)CC1)c1ccccc1
Show InChI InChI=1S/C25H33N3O/c1-4-16-26-17-19-28(20-18-26)24(21-10-8-7-9-11-21)22-12-14-23(15-13-22)25(29)27(5-2)6-3/h4,7-15,24H,1,5-6,16-20H2,2-3H3
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n/an/a 4.10n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1329-34 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50077081
PNG
(CHEMBL27779 | N,N-Diethyl-4-{[4-(2-hydroxy-ethyl)-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CCO)CC1)c1ccccc1
Show InChI InChI=1S/C24H33N3O2/c1-3-26(4-2)24(29)22-12-10-21(11-13-22)23(20-8-6-5-7-9-20)27-16-14-25(15-17-27)18-19-28/h5-13,23,28H,3-4,14-19H2,1-2H3
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n/an/a 5.5n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 9: 1329-34 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50077086
PNG
(4-[(4-Cyclopentyl-piperazin-1-yl)-phenyl-methyl]-N...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCC1)c1ccccc1
Show InChI InChI=1S/C27H37N3O/c1-3-28(4-2)27(31)24-16-14-23(15-17-24)26(22-10-6-5-7-11-22)30-20-18-29(19-21-30)25-12-8-9-13-25/h5-7,10-11,14-17,25-26H,3-4,8-9,12-13,18-21H2,1-2H3
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n/an/a 5.80n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 9: 1329-34 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50077066
PNG
(4-[(4-Allyl-piperazin-1-yl)-phenyl-methyl]-N,N-die...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CC=C)CC1)c1ccccc1
Show InChI InChI=1S/C25H33N3O/c1-4-16-26-17-19-28(20-18-26)24(21-10-8-7-9-11-21)22-12-14-23(15-13-22)25(29)27(5-2)6-3/h4,7-15,24H,1,5-6,16-20H2,2-3H3
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n/an/a 8n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 9: 1329-34 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50077066
PNG
(4-[(4-Allyl-piperazin-1-yl)-phenyl-methyl]-N,N-die...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CC=C)CC1)c1ccccc1
Show InChI InChI=1S/C25H33N3O/c1-4-16-26-17-19-28(20-18-26)24(21-10-8-7-9-11-21)22-12-14-23(15-13-22)25(29)27(5-2)6-3/h4,7-15,24H,1,5-6,16-20H2,2-3H3
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n/an/a 8n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1329-34 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50077091
PNG
(CHEMBL416930 | N,N-Diethyl-4-{[4-(4-hydroxy-phenyl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CC1)c1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C28H33N3O2/c1-3-29(4-2)28(33)24-12-10-23(11-13-24)27(22-8-6-5-7-9-22)31-20-18-30(19-21-31)25-14-16-26(32)17-15-25/h5-17,27,32H,3-4,18-21H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 9: 1329-34 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50077082
PNG
(CHEMBL150430 | CHEMBL27944 | N,N-Diethyl-4-[phenyl...)
Show SMILES CCCN1CCN(CC1)C(c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC
Show InChI InChI=1S/C25H35N3O/c1-4-16-26-17-19-28(20-18-26)24(21-10-8-7-9-11-21)22-12-14-23(15-13-22)25(29)27(5-2)6-3/h7-15,24H,4-6,16-20H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 9: 1329-34 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50077093
PNG
(4-[(4-Allyl-[1,4]diazepan-1-yl)-phenyl-methyl]-N,N...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCCN(CC=C)CC1)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-4-17-27-18-10-19-29(21-20-27)25(22-11-8-7-9-12-22)23-13-15-24(16-14-23)26(30)28(5-2)6-3/h4,7-9,11-16,25H,1,5-6,10,17-21H2,2-3H3
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n/an/a 13n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cells expressing human delta opioid receptor


Bioorg Med Chem Lett 9: 1329-34 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TCM
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50102692
PNG
(4-Benzyloxy-N-(1-dimethylamino-cyclopentylmethyl)-...)
Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)NCC1(CCCC1)N(C)C
Show InChI InChI=1S/C24H32N2O4/c1-26(2)24(12-8-9-13-24)17-25-23(27)19-14-20(28-3)22(21(15-19)29-4)30-16-18-10-6-5-7-11-18/h5-7,10-11,14-15H,8-9,12-13,16-17H2,1-4H3,(H,25,27)
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n/an/a 16n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Glycine Transporter type-2


J Med Chem 44: 2679-82 (2001)


BindingDB Entry DOI: 10.7270/Q2DN44BJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50077088
PNG
(CHEMBL27579 | N,N-Diethyl-4-[(octahydro-quinoxalin...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNC2CCCCC12)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-3-28(4-2)26(30)22-16-14-21(15-17-22)25(20-10-6-5-7-11-20)29-19-18-27-23-12-8-9-13-24(23)29/h5-7,10-11,14-17,23-25,27H,3-4,8-9,12-13,18-19H2,1-2H3
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n/an/a 29n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 9: 1329-34 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50077090
PNG
(4-[(3,5-Dimethyl-piperazin-1-yl)-phenyl-methyl]-N,...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CC(C)NC(C)C1)c1ccccc1
Show InChI InChI=1S/C24H33N3O/c1-5-26(6-2)24(28)22-14-12-21(13-15-22)23(20-10-8-7-9-11-20)27-16-18(3)25-19(4)17-27/h7-15,18-19,23,25H,5-6,16-17H2,1-4H3
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n/an/a 42n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 9: 1329-34 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50077084
PNG
(4-{[Benzyl-(2-dimethylamino-ethyl)-amino]-phenyl-m...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N(CCN(C)C)Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H37N3O/c1-5-31(6-2)29(33)27-19-17-26(18-20-27)28(25-15-11-8-12-16-25)32(22-21-30(3)4)23-24-13-9-7-10-14-24/h7-20,28H,5-6,21-23H2,1-4H3
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n/an/a 70n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 9: 1329-34 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TCM
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50102687
PNG
(4-Butoxy-N-(1-dimethylamino-cyclopentylmethyl)-3,5...)
Show SMILES CCCCOc1c(OC)cc(cc1OC)C(=O)NCC1(CCCC1)N(C)C
Show InChI InChI=1S/C21H34N2O4/c1-6-7-12-27-19-17(25-4)13-16(14-18(19)26-5)20(24)22-15-21(23(2)3)10-8-9-11-21/h13-14H,6-12,15H2,1-5H3,(H,22,24)
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n/an/a 77n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Glycine Transporter type-2


J Med Chem 44: 2679-82 (2001)


BindingDB Entry DOI: 10.7270/Q2DN44BJ
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50102688
PNG
(4-Benzyloxy-N-(1-dimethylamino-cyclohexylmethyl)-3...)
Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)NCC1(CCCCC1)N(C)C
Show InChI InChI=1S/C25H34N2O4/c1-27(2)25(13-9-6-10-14-25)18-26-24(28)20-15-21(29-3)23(22(16-20)30-4)31-17-19-11-7-5-8-12-19/h5,7-8,11-12,15-16H,6,9-10,13-14,17-18H2,1-4H3,(H,26,28)
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n/an/a 84n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Glycine Transporter type-2


J Med Chem 44: 2679-82 (2001)


BindingDB Entry DOI: 10.7270/Q2DN44BJ
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50102688
PNG
(4-Benzyloxy-N-(1-dimethylamino-cyclohexylmethyl)-3...)
Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)NCC1(CCCCC1)N(C)C
Show InChI InChI=1S/C25H34N2O4/c1-27(2)25(13-9-6-10-14-25)18-26-24(28)20-15-21(29-3)23(22(16-20)30-4)31-17-19-11-7-5-8-12-19/h5,7-8,11-12,15-16H,6,9-10,13-14,17-18H2,1-4H3,(H,26,28)
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n/an/a>100n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human Glycine Transporter type-1.


J Med Chem 44: 2679-82 (2001)


BindingDB Entry DOI: 10.7270/Q2DN44BJ
More data for this
Ligand-Target Pair
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