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Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'jaap' and Initial = 'd'   
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345085
PNG
((2S)-N-(3-(1-aminoisoquinolin-6-yl)-1-oxo-1-(piper...)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc2c(N)nccc2c1)C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C36H43N5O5S/c1-23-19-32(46-4)24(2)25(3)33(23)47(44,45)40-30(21-26-11-7-5-8-12-26)35(42)39-31(36(43)41-17-9-6-10-18-41)22-27-13-14-29-28(20-27)15-16-38-34(29)37/h5,7-8,11-16,19-20,30-31,40H,6,9-10,17-18,21-22H2,1-4H3,(H2,37,38)(H,39,42)/t30-,31?/m0/s1
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63n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
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))
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))
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))
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))
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
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345082
PNG
(1-(1,4-diazepan-1-yl)-2-(5-methoxy-1-(4-methoxy-2,...)
Show SMILES COc1ccc2n(c(C)c(CC(=O)N3CCCNCC3)c2c1)S(=O)(=O)c1ccc(OC)c(C)c1C
Show InChI InChI=1S/C26H33N3O5S/c1-17-18(2)25(10-9-24(17)34-5)35(31,32)29-19(3)21(22-15-20(33-4)7-8-23(22)29)16-26(30)28-13-6-11-27-12-14-28/h7-10,15,27H,6,11-14,16H2,1-5H3
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180n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345068
PNG
((1,4-diazepan-1-yl)(5-methoxy-1-(4-methoxy-2,3-dim...)
Show SMILES COc1ccc2n(c(C)c(C(=O)N3CCCNCC3)c2c1)S(=O)(=O)c1ccc(OC)c(C)c1C
Show InChI InChI=1S/C25H31N3O5S/c1-16-17(2)23(10-9-22(16)33-5)34(30,31)28-18(3)24(20-15-19(32-4)7-8-21(20)28)25(29)27-13-6-11-26-12-14-27/h7-10,15,26H,6,11-14H2,1-5H3
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190n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345071
PNG
((S)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)...)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCN(C)CC1 |r|
Show InChI InChI=1S/C27H40N4O4S/c1-20-18-25(35-5)21(2)22(3)26(20)36(33,34)29-24(19-23-10-7-6-8-11-23)27(32)28-12-9-13-31-16-14-30(4)15-17-31/h6-8,10-11,18,24,29H,9,12-17,19H2,1-5H3,(H,28,32)/t24-/m0/s1
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250n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345084
PNG
(2-(5-fluoro-1-(4-methoxy-2,3-dimethylphenylsulfony...)
Show SMILES COc1ccc(c(C)c1C)S(=O)(=O)n1c(C)c(CC(=O)N(C)CCc2ccccn2)c2cc(F)ccc12
Show InChI InChI=1S/C28H30FN3O4S/c1-18-19(2)27(12-11-26(18)36-5)37(34,35)32-20(3)23(24-16-21(29)9-10-25(24)32)17-28(33)31(4)15-13-22-8-6-7-14-30-22/h6-12,14,16H,13,15,17H2,1-5H3
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260n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345081
PNG
((1,4-diazepan-1-yl)(5-fluoro-1-(4-methoxy-2,3-dime...)
Show SMILES COc1ccc(c(C)c1C)S(=O)(=O)n1c(C)c(C(=O)N2CCCNCC2)c2cc(F)ccc12
Show InChI InChI=1S/C24H28FN3O4S/c1-15-16(2)22(9-8-21(15)32-4)33(30,31)28-17(3)23(19-14-18(25)6-7-20(19)28)24(29)27-12-5-10-26-11-13-27/h6-9,14,26H,5,10-13H2,1-4H3
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310n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
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
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))
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
Oxytocin receptor


(HEK293)
BDBM50345082
PNG
(1-(1,4-diazepan-1-yl)-2-(5-methoxy-1-(4-methoxy-2,...)
Show SMILES COc1ccc2n(c(C)c(CC(=O)N3CCCNCC3)c2c1)S(=O)(=O)c1ccc(OC)c(C)c1C
Show InChI InChI=1S/C26H33N3O5S/c1-17-18(2)25(10-9-24(17)34-5)35(31,32)29-19(3)21(22-15-20(33-4)7-8-23(22)29)16-26(30)28-13-6-11-27-12-14-28/h7-10,15,27H,6,11-14,16H2,1-5H3
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320n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345083
PNG
(2-(5-fluoro-1-(4-methoxy-2,3-dimethylphenylsulfony...)
Show SMILES COc1ccc(c(C)c1C)S(=O)(=O)n1c(C)c(CC(=O)NCCCN2CCN(C)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C28H37FN4O4S/c1-19-20(2)27(10-9-26(19)37-5)38(35,36)33-21(3)23(24-17-22(29)7-8-25(24)33)18-28(34)30-11-6-12-32-15-13-31(4)14-16-32/h7-10,17H,6,11-16,18H2,1-5H3,(H,30,34)
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430n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345079
PNG
((1-(4-methoxy-2,3-dimethylphenylsulfonyl)-2-methyl...)
Show SMILES COc1ccc(c(C)c1C)S(=O)(=O)n1c(C)c(C(=O)N2CCCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C25H31N3O4S/c1-17-18(2)23(12-11-22(17)32-5)33(30,31)28-19(3)24(20-9-6-7-10-21(20)28)25(29)27-14-8-13-26(4)15-16-27/h6-7,9-12H,8,13-16H2,1-5H3
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500n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345070
PNG
((S)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)...)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN1CCN(C)CC1 |r|
Show InChI InChI=1S/C26H38N4O4S/c1-19-17-24(34-5)20(2)21(3)25(19)35(32,33)28-23(18-22-9-7-6-8-10-22)26(31)27-11-12-30-15-13-29(4)14-16-30/h6-10,17,23,28H,11-16,18H2,1-5H3,(H,27,31)/t23-/m0/s1
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500n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345078
PNG
(1-(4-methoxy-2,3-dimethylphenylsulfonyl)-2-methyl-...)
Show SMILES COc1ccc(c(C)c1C)S(=O)(=O)n1c(C)c(C(=O)NCCCN2CCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C27H36N4O4S/c1-19-20(2)25(12-11-24(19)35-5)36(33,34)31-21(3)26(22-9-6-7-10-23(22)31)27(32)28-13-8-14-30-17-15-29(4)16-18-30/h6-7,9-12H,8,13-18H2,1-5H3,(H,28,32)
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560n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345069
PNG
((S)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)...)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C33H41N3O5S/c1-23-20-30(41-4)24(2)25(3)31(23)42(39,40)35-28(21-26-14-8-5-9-15-26)32(37)34-29(22-27-16-10-6-11-17-27)33(38)36-18-12-7-13-19-36/h5-6,8-11,14-17,20,28-29,35H,7,12-13,18-19,21-22H2,1-4H3,(H,34,37)/t28-,29-/m0/s1
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630n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345080
PNG
((1,4-diazepan-1-yl)(1-(4-methoxy-2,3-dimethylpheny...)
Show SMILES COc1ccc(c(C)c1C)S(=O)(=O)n1c(C)c(C(=O)N2CCCNCC2)c2cc(C)ccc12
Show InChI InChI=1S/C25H31N3O4S/c1-16-7-8-21-20(15-16)24(25(29)27-13-6-11-26-12-14-27)19(4)28(21)33(30,31)23-10-9-22(32-5)17(2)18(23)3/h7-10,15,26H,6,11-14H2,1-5H3
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790n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345075
PNG
((S)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)...)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CCCN1CCN(C)CC1 |r|
Show InChI InChI=1S/C28H42N4O4S/c1-21-19-26(36-6)22(2)23(3)27(21)37(34,35)29-25(20-24-11-8-7-9-12-24)28(33)31(5)13-10-14-32-17-15-30(4)16-18-32/h7-9,11-12,19,25,29H,10,13-18,20H2,1-6H3/t25-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345077
PNG
(1-(4-methoxy-2,3-dimethylphenylsulfonyl)-N-(3-(4-m...)
Show SMILES COc1ccc(c(C)c1C)S(=O)(=O)N1CC(C(=O)NCCCN2CCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C26H36N4O4S/c1-19-20(2)25(11-10-24(19)34-4)35(32,33)30-18-22(21-8-5-6-9-23(21)30)26(31)27-12-7-13-29-16-14-28(3)15-17-29/h5-6,8-11,22H,7,12-18H2,1-4H3,(H,27,31)
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1.20E+3n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
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
PDB
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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
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345074
PNG
((S)-N-(3-(dimethylamino)propyl)-2-(4-methoxy-2,3,6...)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN(C)C |r|
Show InChI InChI=1S/C24H35N3O4S/c1-17-15-22(31-6)18(2)19(3)23(17)32(29,30)26-21(16-20-11-8-7-9-12-20)24(28)25-13-10-14-27(4)5/h7-9,11-12,15,21,26H,10,13-14,16H2,1-6H3,(H,25,28)/t21-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345072
PNG
((S)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)...)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCC(C)CC1 |r|
Show InChI InChI=1S/C28H41N3O4S/c1-20-12-16-31(17-13-20)15-9-14-29-28(32)25(19-24-10-7-6-8-11-24)30-36(33,34)27-21(2)18-26(35-5)22(3)23(27)4/h6-8,10-11,18,20,25,30H,9,12-17,19H2,1-5H3,(H,29,32)/t25-/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345076
PNG
((S)-4-methoxy-2,3,6-trimethyl-N-(1-(4-methyl-1,4-d...)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCN(C)CC1 |r|
Show InChI InChI=1S/C25H35N3O4S/c1-18-16-23(32-5)19(2)20(3)24(18)33(30,31)26-22(17-21-10-7-6-8-11-21)25(29)28-13-9-12-27(4)14-15-28/h6-8,10-11,16,22,26H,9,12-15,17H2,1-5H3/t22-/m0/s1
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3.20E+3n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50345068
PNG
((1,4-diazepan-1-yl)(5-methoxy-1-(4-methoxy-2,3-dim...)
Show SMILES COc1ccc2n(c(C)c(C(=O)N3CCCNCC3)c2c1)S(=O)(=O)c1ccc(OC)c(C)c1C
Show InChI InChI=1S/C25H31N3O5S/c1-16-17(2)23(10-9-22(16)33-5)34(30,31)28-18(3)24(20-15-19(32-4)7-8-21(20)28)25(29)27-13-6-11-26-12-14-27/h7-10,15,26H,6,11-14H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
More data for this
Ligand-Target Pair
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