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PubMed code 20845907

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 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 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 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 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
* indicates data uncertainty>20%