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Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'aicart' and Initial = 'e'   
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 1A


(Homo sapiens (human))
BDBM50345695
PNG
(5-(Dimethylamino)-N-{4-[2-{4-[4-(1-naphthyl)pipera...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCC12CCCN1C(=O)N(CCCCN1CCN(CC1)c1cccc3ccccc13)C2=O
Show InChI InChI=1S/C40H50N6O4S/c1-42(2)35-18-10-17-34-33(35)16-11-20-37(34)51(49,50)41-23-6-5-21-40-22-12-26-46(40)39(48)45(38(40)47)25-8-7-24-43-27-29-44(30-28-43)36-19-9-14-31-13-3-4-15-32(31)36/h3-4,9-11,13-20,41H,5-8,12,21-30H2,1-2H3
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in EBNA gene-positive HEK293 cells after 120 mins


ACS Med Chem Lett 1: 249-253 (2010)


Article DOI: 10.1021/ml100053y
BindingDB Entry DOI: 10.7270/Q2HD7W0T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50345703
PNG
(8-{4-[4-(1,3-Dioxotetrahydro-1H-pyrrolo[1,2-c]imid...)
Show SMILES CN(C)S(=O)(=O)c1ccc2cccc(N3CCN(CCCCn4c(O)c5CCCn5c4=O)CC3)c2c1
Show InChI InChI=1S/C26H35N5O4S/c1-27(2)36(34,35)21-11-10-20-7-5-8-23(22(20)19-21)29-17-15-28(16-18-29)12-3-4-13-31-25(32)24-9-6-14-30(24)26(31)33/h5,7-8,10-11,19,32H,3-4,6,9,12-18H2,1-2H3
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2.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in EBNA gene-positive HEK293 cells after 120 mins


ACS Med Chem Lett 1: 249-253 (2010)


Article DOI: 10.1021/ml100053y
BindingDB Entry DOI: 10.7270/Q2HD7W0T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50126474
PNG
(2-[4-(4-Naphthalen-1-yl-piperazin-1-yl)-butyl]-tet...)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C24H30N4O2/c29-23-22-11-6-14-27(22)24(30)28(23)13-4-3-12-25-15-17-26(18-16-25)21-10-5-8-19-7-1-2-9-20(19)21/h1-2,5,7-10,29H,3-4,6,11-18H2
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2.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in EBNA gene-positive HEK293 cells after 120 mins


ACS Med Chem Lett 1: 249-253 (2010)


Article DOI: 10.1021/ml100053y
BindingDB Entry DOI: 10.7270/Q2HD7W0T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50345697
PNG
(5-(Dimethylamino)-N-{7-[2-{4-[4-(1-naphthyl)pipera...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCCC12CCCN1C(=O)N(CCCCN1CCN(CC1)c1cccc3ccccc13)C2=O
Show InChI InChI=1S/C43H56N6O4S/c1-45(2)38-21-13-20-37-36(38)19-14-23-40(37)54(52,53)44-26-9-5-3-4-8-24-43-25-15-29-49(43)42(51)48(41(43)50)28-11-10-27-46-30-32-47(33-31-46)39-22-12-17-34-16-6-7-18-35(34)39/h6-7,12-14,16-23,44H,3-5,8-11,15,24-33H2,1-2H3
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in EBNA gene-positive HEK293 cells after 120 mins


ACS Med Chem Lett 1: 249-253 (2010)


Article DOI: 10.1021/ml100053y
BindingDB Entry DOI: 10.7270/Q2HD7W0T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50054395
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
Show InChI InChI=1S/C21H30N4O3/c1-28-19-9-3-2-7-17(19)23-15-13-22(14-16-23)10-4-5-11-25-20(26)18-8-6-12-24(18)21(25)27/h2-3,7,9,26H,4-6,8,10-16H2,1H3
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5.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in EBNA gene-positive HEK293 cells after 120 mins


ACS Med Chem Lett 1: 249-253 (2010)


Article DOI: 10.1021/ml100053y
BindingDB Entry DOI: 10.7270/Q2HD7W0T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50345698
PNG
(5-(Dimethylamino)-N-[5-({2-[2-{4-[4-(2-methoxyphen...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCNCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)C2=O)CC1
Show InChI InChI=1S/C40H57N7O5S/c1-43(2)34-17-11-15-33-32(34)14-12-19-37(33)53(50,51)42-23-8-4-7-22-41-24-21-40-20-13-27-47(40)39(49)46(38(40)48)26-10-9-25-44-28-30-45(31-29-44)35-16-5-6-18-36(35)52-3/h5-6,11-12,14-19,41-42H,4,7-10,13,20-31H2,1-3H3
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in EBNA gene-positive HEK293 cells after 120 mins


ACS Med Chem Lett 1: 249-253 (2010)


Article DOI: 10.1021/ml100053y
BindingDB Entry DOI: 10.7270/Q2HD7W0T
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50328467
PNG
(5-(Dimethylamino)-N-(4-methoxy-3-piperazin-1-ylphe...)
Show SMILES COc1ccc(NS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1N1CCNCC1
Show InChI InChI=1S/C23H28N4O3S/c1-26(2)20-8-4-7-19-18(20)6-5-9-23(19)31(28,29)25-17-10-11-22(30-3)21(16-17)27-14-12-24-13-15-27/h4-11,16,24-25H,12-15H2,1-3H3
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8n/an/an/an/an/an/an/an/a



Universidad Complutense deMadrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


J Med Chem 53: 7095-106 (2010)


Article DOI: 10.1021/jm1007177
BindingDB Entry DOI: 10.7270/Q2445MQ0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50345699
PNG
(5-(Dimethylamino)-N-[5-({4-[2-{4-[4-(2-methoxyphen...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCCCNCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)C2=O)CC1
Show InChI InChI=1S/C42H61N7O5S/c1-45(2)36-19-13-17-35-34(36)16-14-21-39(35)55(52,53)44-26-9-4-8-24-43-25-10-7-22-42-23-15-29-49(42)41(51)48(40(42)50)28-12-11-27-46-30-32-47(33-31-46)37-18-5-6-20-38(37)54-3/h5-6,13-14,16-21,43-44H,4,7-12,15,22-33H2,1-3H3
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9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in EBNA gene-positive HEK293 cells after 120 mins


ACS Med Chem Lett 1: 249-253 (2010)


Article DOI: 10.1021/ml100053y
BindingDB Entry DOI: 10.7270/Q2HD7W0T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50345694
PNG
(5-(Dimethylamino)-N-{4-[2-{4-[4-(2-methoxyphenyl)p...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)C2=O)CC1
Show InChI InChI=1S/C37H50N6O5S/c1-39(2)31-16-10-14-30-29(31)13-11-18-34(30)49(46,47)38-21-7-6-19-37-20-12-24-43(37)36(45)42(35(37)44)23-9-8-22-40-25-27-41(28-26-40)32-15-4-5-17-33(32)48-3/h4-5,10-11,13-18,38H,6-9,12,19-28H2,1-3H3
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in EBNA gene-positive HEK293 cells after 120 mins


ACS Med Chem Lett 1: 249-253 (2010)


Article DOI: 10.1021/ml100053y
BindingDB Entry DOI: 10.7270/Q2HD7W0T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50345696
PNG
(5-(Dimethylamino)-N-{7-[2-{4-[4-(2-methoxyphenyl)p...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)C2=O)CC1
Show InChI InChI=1S/C40H56N6O5S/c1-42(2)34-19-13-17-33-32(34)16-14-21-37(33)52(49,50)41-24-10-6-4-5-9-22-40-23-15-27-46(40)39(48)45(38(40)47)26-12-11-25-43-28-30-44(31-29-43)35-18-7-8-20-36(35)51-3/h7-8,13-14,16-21,41H,4-6,9-12,15,22-31H2,1-3H3
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in EBNA gene-positive HEK293 cells after 120 mins


ACS Med Chem Lett 1: 249-253 (2010)


Article DOI: 10.1021/ml100053y
BindingDB Entry DOI: 10.7270/Q2HD7W0T
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50328463
PNG
(5-Chloro-N-{[5-(dimethylamino)-1-naphthyl]sulfonyl...)
Show SMILES COc1ccc(cc1N1CCNCC1)N(S(=O)(=O)c1sc2ccc(Cl)cc2c1C)S(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C32H33ClN4O5S3/c1-21-26-19-22(33)11-14-30(26)43-32(21)45(40,41)37(23-12-13-29(42-4)28(20-23)36-17-15-34-16-18-36)44(38,39)31-10-6-7-24-25(31)8-5-9-27(24)35(2)3/h5-14,19-20,34H,15-18H2,1-4H3
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27n/an/an/an/an/an/an/an/a



Universidad Complutense deMadrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


J Med Chem 53: 7095-106 (2010)


Article DOI: 10.1021/jm1007177
BindingDB Entry DOI: 10.7270/Q2445MQ0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50345695
PNG
(5-(Dimethylamino)-N-{4-[2-{4-[4-(1-naphthyl)pipera...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCC12CCCN1C(=O)N(CCCCN1CCN(CC1)c1cccc3ccccc13)C2=O
Show InChI InChI=1S/C40H50N6O4S/c1-42(2)35-18-10-17-34-33(35)16-11-20-37(34)51(49,50)41-23-6-5-21-40-22-12-26-46(40)39(48)45(38(40)47)25-8-7-24-43-27-29-44(30-28-43)36-19-9-14-31-13-3-4-15-32(31)36/h3-4,9-11,13-20,41H,5-8,12,21-30H2,1-2H3
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38n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1A receptor expressed in CHO cells after 10 mins by confocal microscopy


ACS Med Chem Lett 1: 249-253 (2010)


Article DOI: 10.1021/ml100053y
BindingDB Entry DOI: 10.7270/Q2HD7W0T
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50328473
PNG
(CHEMBL1256172 | N-{6-[4-(5-{[(5-Chloro-3-methyl-1-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(CCCCCCNC(=O)CCCCC2SC[C@@H]3NC(=O)N[C@H]23)CC1
Show InChI InChI=1S/C36H49ClN6O5S3/c1-24-27-21-25(37)11-14-31(27)50-35(24)51(46,47)41-26-12-13-30(48-2)29(22-26)43-19-17-42(18-20-43)16-8-4-3-7-15-38-33(44)10-6-5-9-32-34-28(23-49-32)39-36(45)40-34/h11-14,21-22,28,32,34,41H,3-10,15-20,23H2,1-2H3,(H,38,44)(H2,39,40,45)/t28-,32?,34-/m0/s1
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90n/an/an/an/an/an/an/an/a



Universidad Complutense deMadrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


J Med Chem 53: 7095-106 (2010)


Article DOI: 10.1021/jm1007177
BindingDB Entry DOI: 10.7270/Q2445MQ0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50345702
PNG
(5-{4-[4-(1,3-Dioxotetrahydro-1H-pyrrolo[1,2-c]imid...)
Show SMILES CN(C)S(=O)(=O)c1ccc2c(cccc2c1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
Show InChI InChI=1S/C26H35N5O4S/c1-27(2)36(34,35)21-10-11-22-20(19-21)7-5-8-23(22)29-17-15-28(16-18-29)12-3-4-13-31-25(32)24-9-6-14-30(24)26(31)33/h5,7-8,10-11,19,32H,3-4,6,9,12-18H2,1-2H3
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98n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in EBNA gene-positive HEK293 cells after 120 mins


ACS Med Chem Lett 1: 249-253 (2010)


Article DOI: 10.1021/ml100053y
BindingDB Entry DOI: 10.7270/Q2HD7W0T
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50328468
PNG
(5-(Dimethylamino)-N-(5-(dimethylamino)naphthalen-1...)
Show SMILES COc1ccc(cc1N1CCNCC1)N(S(=O)(=O)c1cccc2c(cccc12)N(C)C)S(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C35H39N5O5S2/c1-37(2)30-14-6-12-28-26(30)10-8-16-34(28)46(41,42)40(25-18-19-33(45-5)32(24-25)39-22-20-36-21-23-39)47(43,44)35-17-9-11-27-29(35)13-7-15-31(27)38(3)4/h6-19,24,36H,20-23H2,1-5H3
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135n/an/an/an/an/an/an/an/a



Universidad Complutense deMadrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


J Med Chem 53: 7095-106 (2010)


Article DOI: 10.1021/jm1007177
BindingDB Entry DOI: 10.7270/Q2445MQ0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50328460
PNG
(5-Chloro-N-[3-(4-{[5-(dimethylamino)-1-naphthyl]su...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(CC1)S(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C32H33ClN4O5S3/c1-21-26-19-22(33)11-14-30(26)43-32(21)44(38,39)34-23-12-13-29(42-4)28(20-23)36-15-17-37(18-16-36)45(40,41)31-10-6-7-24-25(31)8-5-9-27(24)35(2)3/h5-14,19-20,34H,15-18H2,1-4H3
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165n/an/an/an/an/an/an/an/a



Universidad Complutense deMadrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


J Med Chem 53: 7095-106 (2010)


Article DOI: 10.1021/jm1007177
BindingDB Entry DOI: 10.7270/Q2445MQ0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50328469
PNG
(5-(Dimethylamino)-N-(3-{4-[4-({[5-(dimethylamino)-...)
Show SMILES COc1ccc(NS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1N1CCN(CCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
Show InChI InChI=1S/C39H48N6O5S2/c1-42(2)34-16-8-14-32-30(34)12-10-18-38(32)51(46,47)40-22-6-7-23-44-24-26-45(27-25-44)36-28-29(20-21-37(36)50-5)41-52(48,49)39-19-11-13-31-33(39)15-9-17-35(31)43(3)4/h8-21,28,40-41H,6-7,22-27H2,1-5H3
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175n/an/an/an/an/an/an/an/a



Universidad Complutense deMadrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


J Med Chem 53: 7095-106 (2010)


Article DOI: 10.1021/jm1007177
BindingDB Entry DOI: 10.7270/Q2445MQ0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50328471
PNG
(5-(Dimethylamino)-N-(8-{4-[5-({[5-(dimethylamino)-...)
Show SMILES COc1ccc(NS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1N1CCN(CCCCCCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
Show InChI InChI=1S/C43H56N6O5S2/c1-46(2)38-20-12-18-36-34(38)16-14-22-42(36)55(50,51)44-26-10-8-6-7-9-11-27-48-28-30-49(31-29-48)40-32-33(24-25-41(40)54-5)45-56(52,53)43-23-15-17-35-37(43)19-13-21-39(35)47(3)4/h12-25,32,44-45H,6-11,26-31H2,1-5H3
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194n/an/an/an/an/an/an/an/a



Universidad Complutense deMadrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


J Med Chem 53: 7095-106 (2010)


Article DOI: 10.1021/jm1007177
BindingDB Entry DOI: 10.7270/Q2445MQ0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50328465
PNG
(5-Chloro-N-[8-({[5-(dimethylamino)-1-naphthyl]sulf...)
Show SMILES COc1ccc(cc1N1CCNCC1)N(CCCCCCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C)S(=O)(=O)c1sc2ccc(Cl)cc2c1C
Show InChI InChI=1S/C40H50ClN5O5S3/c1-29-34-27-30(41)17-20-38(34)52-40(29)54(49,50)46(31-18-19-37(51-4)36(28-31)45-25-22-42-23-26-45)24-10-8-6-5-7-9-21-43-53(47,48)39-16-12-13-32-33(39)14-11-15-35(32)44(2)3/h11-20,27-28,42-43H,5-10,21-26H2,1-4H3
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215n/an/an/an/an/an/an/an/a



Universidad Complutense deMadrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


J Med Chem 53: 7095-106 (2010)


Article DOI: 10.1021/jm1007177
BindingDB Entry DOI: 10.7270/Q2445MQ0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50328461
PNG
(5-Chloro-N-(3-{4-[6-({[5-(dimethylamino)-1-naphthy...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(CCCCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
Show InChI InChI=1S/C38H46ClN5O5S3/c1-27-32-25-28(39)15-18-36(32)50-38(27)52(47,48)41-29-16-17-35(49-4)34(26-29)44-23-21-43(22-24-44)20-8-6-5-7-19-40-51(45,46)37-14-10-11-30-31(37)12-9-13-33(30)42(2)3/h9-18,25-26,40-41H,5-8,19-24H2,1-4H3
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266n/an/an/an/an/an/an/an/a



Universidad Complutense deMadrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


J Med Chem 53: 7095-106 (2010)


Article DOI: 10.1021/jm1007177
BindingDB Entry DOI: 10.7270/Q2445MQ0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50345701
PNG
(5-{4-[4-(1,3-Dioxotetrahydro-1H-pyrrolo[1,2-c]imid...)
Show SMILES CN(C)S(=O)(=O)c1cccc2c(cccc12)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
Show InChI InChI=1S/C26H35N5O4S/c1-27(2)36(34,35)24-12-6-8-20-21(24)9-5-10-22(20)29-18-16-28(17-19-29)13-3-4-14-31-25(32)23-11-7-15-30(23)26(31)33/h5-6,8-10,12,32H,3-4,7,11,13-19H2,1-2H3
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350n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in EBNA gene-positive HEK293 cells after 120 mins


ACS Med Chem Lett 1: 249-253 (2010)


Article DOI: 10.1021/ml100053y
BindingDB Entry DOI: 10.7270/Q2HD7W0T
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50328462
PNG
(5-Chloro-N-(3-{4-[8-({[5-(dimethylamino)-1-naphthy...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(CCCCCCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
Show InChI InChI=1S/C40H50ClN5O5S3/c1-29-34-27-30(41)17-20-38(34)52-40(29)54(49,50)43-31-18-19-37(51-4)36(28-31)46-25-23-45(24-26-46)22-10-8-6-5-7-9-21-42-53(47,48)39-16-12-13-32-33(39)14-11-15-35(32)44(2)3/h11-20,27-28,42-43H,5-10,21-26H2,1-4H3
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447n/an/an/an/an/an/an/an/a



Universidad Complutense deMadrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


J Med Chem 53: 7095-106 (2010)


Article DOI: 10.1021/jm1007177
BindingDB Entry DOI: 10.7270/Q2445MQ0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50328472
PNG
(4-{5-[4-(Dimethylamino)phenyl]-1,3-oxazol-2-yl}-N-...)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2ncc(o2)-c2ccc(cc2)N(C)C)cc1N1CCNCC1
Show InChI InChI=1S/C28H31N5O4S/c1-32(2)23-9-4-20(5-10-23)27-19-30-28(37-27)21-6-11-24(12-7-21)38(34,35)31-22-8-13-26(36-3)25(18-22)33-16-14-29-15-17-33/h4-13,18-19,29,31H,14-17H2,1-3H3
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523n/an/an/an/an/an/an/an/a



Universidad Complutense deMadrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


J Med Chem 53: 7095-106 (2010)


Article DOI: 10.1021/jm1007177
BindingDB Entry DOI: 10.7270/Q2445MQ0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50328470
PNG
(5-(Dimethylamino)-N-(3-{4-[6-({[5-(dimethylamino)-...)
Show SMILES COc1ccc(NS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1N1CCN(CCCCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
Show InChI InChI=1S/C41H52N6O5S2/c1-44(2)36-18-10-16-34-32(36)14-12-20-40(34)53(48,49)42-24-8-6-7-9-25-46-26-28-47(29-27-46)38-30-31(22-23-39(38)52-5)43-54(50,51)41-21-13-15-33-35(41)17-11-19-37(33)45(3)4/h10-23,30,42-43H,6-9,24-29H2,1-5H3
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554n/an/an/an/an/an/an/an/a



Universidad Complutense deMadrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


J Med Chem 53: 7095-106 (2010)


Article DOI: 10.1021/jm1007177
BindingDB Entry DOI: 10.7270/Q2445MQ0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50328466
PNG
(5-Chloro-N-(4-{[8-({[5-(dimethylamino)-1-naphthyl]...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCCCOc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C39H48ClN5O5S3/c1-28-33-26-29(40)16-19-37(33)51-39(28)53(48,49)43-30-17-18-36(35(27-30)45-23-21-41-22-24-45)50-25-9-7-5-4-6-8-20-42-52(46,47)38-15-11-12-31-32(38)13-10-14-34(31)44(2)3/h10-19,26-27,41-43H,4-9,20-25H2,1-3H3
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741n/an/an/an/an/an/an/an/a



Universidad Complutense deMadrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


J Med Chem 53: 7095-106 (2010)


Article DOI: 10.1021/jm1007177
BindingDB Entry DOI: 10.7270/Q2445MQ0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50328464
PNG
(5-Chloro-N-[4-({[5-(dimethylamino)-1-naphthyl]sulf...)
Show SMILES COc1ccc(cc1N1CCNCC1)N(CCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C)S(=O)(=O)c1sc2ccc(Cl)cc2c1C
Show InChI InChI=1S/C36H42ClN5O5S3/c1-25-30-23-26(37)13-16-34(30)48-36(25)50(45,46)42(27-14-15-33(47-4)32(24-27)41-21-18-38-19-22-41)20-6-5-17-39-49(43,44)35-12-8-9-28-29(35)10-7-11-31(28)40(2)3/h7-16,23-24,38-39H,5-6,17-22H2,1-4H3
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747n/an/an/an/an/an/an/an/a



Universidad Complutense deMadrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


J Med Chem 53: 7095-106 (2010)


Article DOI: 10.1021/jm1007177
BindingDB Entry DOI: 10.7270/Q2445MQ0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50345700
PNG
(2-[4-(4-{5-(Dimethylamino)-1-naphthylsulfonyl}pipe...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
Show InChI InChI=1S/C26H35N5O4S/c1-27(2)22-10-5-9-21-20(22)8-6-12-24(21)36(34,35)29-18-16-28(17-19-29)13-3-4-14-31-25(32)23-11-7-15-30(23)26(31)33/h5-6,8-10,12,32H,3-4,7,11,13-19H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in EBNA gene-positive HEK293 cells after 120 mins


ACS Med Chem Lett 1: 249-253 (2010)


Article DOI: 10.1021/ml100053y
BindingDB Entry DOI: 10.7270/Q2HD7W0T
More data for this
Ligand-Target Pair