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Compile Data Set for Download or QSAR

Found 231 hits with Last Name = 'baek' and Initial = 'dj'   
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
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50443388
PNG
(CHEMBL3086782 | US9688668, SLR080811)
Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r|
Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-24-20(27-25-19)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/m0/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



The City University of New York

Curated by ChEMBL


Assay Description
Inhibition of sphingosine kinase 1 (unknown origin)

J Med Chem 56: 9310-27 (2013)


Article DOI: 10.1021/jm401399c
BindingDB Entry DOI: 10.7270/Q2S75HSK
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50443385
PNG
(SPC-100270 | Safingol | Safingol HCl)
Show SMILES CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)CO
Show InChI InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18-/m0/s1
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 5.00E+3n/an/an/an/an/an/an/an/a



The City University of New York

Curated by ChEMBL


Assay Description
Inhibition of sphingosine kinase 1 (unknown origin)

J Med Chem 56: 9310-27 (2013)


Article DOI: 10.1021/jm401399c
BindingDB Entry DOI: 10.7270/Q2S75HSK
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50443389
PNG
(CHEMBL2376441)
Show SMILES CCCCCc1ccc(\C=C\[C@H](O)[C@@H](CO)NC)cc1 |r|
Show InChI InChI=1S/C17H27NO2/c1-3-4-5-6-14-7-9-15(10-8-14)11-12-17(20)16(13-19)18-2/h7-12,16-20H,3-6,13H2,1-2H3/b12-11+/t16-,17+/m1/s1
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 1.00E+4n/an/an/an/an/an/an/an/a



The City University of New York

Curated by ChEMBL


Assay Description
Inhibition of sphingosine kinase 1 (unknown origin)

J Med Chem 56: 9310-27 (2013)


Article DOI: 10.1021/jm401399c
BindingDB Entry DOI: 10.7270/Q2S75HSK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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n/an/a 3.10n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375936
PNG
(CHEMBL260907)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C31H34FN5O3/c1-2-40-28-12-7-6-11-27(28)36-19-17-35(18-20-36)16-8-13-30(38)33-22-29-34-26-15-14-23(32)21-25(26)31(39)37(29)24-9-4-3-5-10-24/h3-7,9-12,14-15,21H,2,8,13,16-20,22H2,1H3,(H,33,38)
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n/an/a 12n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375919
PNG
(CHEMBL406221)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccc(OC)cc2)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-8-5-4-7-28(29)37-19-17-36(18-20-37)16-6-9-31(39)34-22-30-35-27-15-10-23(33)21-26(27)32(40)38(30)24-11-13-25(41-2)14-12-24/h4-5,7-8,10-15,21H,3,6,9,16-20,22H2,1-2H3,(H,34,39)
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n/an/a 16n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375924
PNG
(CHEMBL261742)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2cccc(OC)c2)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-11-5-4-10-28(29)37-18-16-36(17-19-37)15-7-12-31(39)34-22-30-35-27-14-13-23(33)20-26(27)32(40)38(30)24-8-6-9-25(21-24)41-2/h4-6,8-11,13-14,20-21H,3,7,12,15-19,22H2,1-2H3,(H,34,39)
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n/an/a 16n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375953
PNG
(CHEMBL258785)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C31H34FN5O3/c1-2-40-28-12-7-6-11-27(28)36-19-17-35(18-20-36)16-8-13-30(38)33-22-29-34-26-21-23(32)14-15-25(26)31(39)37(29)24-9-4-3-5-10-24/h3-7,9-12,14-15,21H,2,8,13,16-20,22H2,1H3,(H,33,38)
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n/an/a 19n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50231755
PNG
(6,6-dimethyl-2-phenylethynyl-7,8-dihydro-6H-quinol...)
Show SMILES CC1(C)CCc2nc(ccc2C1=O)C#Cc1ccccc1
Show InChI InChI=1S/C19H17NO/c1-19(2)13-12-17-16(18(19)21)11-10-15(20-17)9-8-14-6-4-3-5-7-14/h3-7,10-11H,12-13H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Brain Science Institute

Curated by ChEMBL


Assay Description
Modulation of mGluR5 (unknown origin)

Bioorg Med Chem Lett 23: 1472-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.056
BindingDB Entry DOI: 10.7270/Q2DR2WVN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375970
PNG
(CHEMBL428781)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C30H33N5O3/c1-38-27-15-8-7-14-26(27)34-20-18-33(19-21-34)17-9-16-29(36)31-22-28-32-25-13-6-5-12-24(25)30(37)35(28)23-10-3-2-4-11-23/h2-8,10-15H,9,16-22H2,1H3,(H,31,36)
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n/an/a 21n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375909
PNG
(CHEMBL261231)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C31H35N5O3/c1-2-39-28-16-9-8-15-27(28)35-21-19-34(20-22-35)18-10-17-30(37)32-23-29-33-26-14-7-6-13-25(26)31(38)36(29)24-11-4-3-5-12-24/h3-9,11-16H,2,10,17-23H2,1H3,(H,32,37)
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n/an/a 26n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375932
PNG
(CHEMBL408717)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2OC)CC1 |(2.64,-15.65,;3.34,-15.21,;4.07,-15.61,;4.77,-15.18,;5.5,-15.57,;6.2,-15.14,;6.17,-14.31,;5.45,-13.92,;4.75,-14.35,;4.02,-13.96,;3.32,-14.39,;2.6,-14,;2.58,-13.18,;1.86,-12.77,;1.15,-13.18,;.43,-12.77,;-.28,-13.18,;-.28,-14.01,;-1,-12.77,;-1.71,-13.19,;-2.43,-12.78,;-3.15,-13.19,;-3.87,-12.78,;-4.58,-13.19,;-5.3,-12.78,;-5.3,-11.95,;-4.59,-11.54,;-3.87,-11.95,;-3.15,-11.53,;-3.16,-10.7,;-2.43,-11.94,;-1.72,-11.53,;-1,-11.94,;-.29,-11.53,;-.29,-10.7,;-1.01,-10.29,;-1.72,-10.71,;-2.44,-10.3,;-2.44,-9.48,;3.27,-12.74,;4,-13.14,)|
Show InChI InChI=1S/C32H37N5O4/c1-3-41-29-16-9-6-13-26(29)36-21-19-35(20-22-36)18-10-17-31(38)33-23-30-34-25-12-5-4-11-24(25)32(39)37(30)27-14-7-8-15-28(27)40-2/h4-9,11-16H,3,10,17-23H2,1-2H3,(H,33,38)
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n/an/a 29n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375922
PNG
(CHEMBL260756)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)CC1
Show InChI InChI=1S/C32H37N5O4/c1-3-41-29-12-7-6-11-28(29)36-21-19-35(20-22-36)18-8-13-31(38)33-23-30-34-27-10-5-4-9-26(27)32(39)37(30)24-14-16-25(40-2)17-15-24/h4-7,9-12,14-17H,3,8,13,18-23H2,1-2H3,(H,33,38)
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n/an/a 29n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375963
PNG
(CHEMBL259408)
Show SMILES Fc1ccc2c(c1)nc(CNC(=O)CCCN1CCN(CC1)c1ccccc1Cl)n(-c1ccccc1)c2=O
Show InChI InChI=1S/C29H29ClFN5O2/c30-24-9-4-5-10-26(24)35-17-15-34(16-18-35)14-6-11-28(37)32-20-27-33-25-19-21(31)12-13-23(25)29(38)36(27)22-7-2-1-3-8-22/h1-5,7-10,12-13,19H,6,11,14-18,20H2,(H,32,37)
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n/an/a 42n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375915
PNG
(CHEMBL436700)
Show SMILES CCOc1ccccc1N1CCN(CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C30H33N5O3/c1-2-38-27-15-9-8-14-26(27)34-20-18-33(19-21-34)17-16-29(36)31-22-28-32-25-13-7-6-12-24(25)30(37)35(28)23-10-4-3-5-11-23/h3-15H,2,16-22H2,1H3,(H,31,36)
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n/an/a 45n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375929
PNG
(CHEMBL259001)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2OC)CC1 |(14.3,-22.53,;15,-22.09,;15.73,-22.49,;16.43,-22.06,;17.15,-22.45,;17.86,-22.02,;17.83,-21.19,;17.11,-20.8,;16.41,-21.23,;15.68,-20.84,;14.98,-21.27,;14.26,-20.88,;14.23,-20.06,;13.52,-19.65,;12.8,-20.06,;12.09,-19.65,;11.38,-20.06,;11.38,-20.89,;10.66,-19.65,;9.95,-20.07,;9.23,-19.66,;8.51,-20.07,;7.79,-19.66,;7.07,-20.07,;6.36,-19.66,;6.36,-18.83,;5.65,-18.42,;7.07,-18.42,;7.79,-18.83,;8.5,-18.41,;8.5,-17.58,;9.23,-18.82,;9.94,-18.41,;10.66,-18.82,;11.37,-18.41,;11.37,-17.58,;10.65,-17.17,;9.94,-17.59,;9.22,-17.18,;9.21,-16.35,;14.93,-19.62,;15.66,-20.02,)|
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-12-7-4-9-26(29)37-19-17-36(18-20-37)16-8-13-31(39)34-22-30-35-25-15-14-23(33)21-24(25)32(40)38(30)27-10-5-6-11-28(27)41-2/h4-7,9-12,14-15,21H,3,8,13,16-20,22H2,1-2H3,(H,34,39)
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n/an/a 48n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375921
PNG
(CHEMBL259199)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccc(OC)cc2)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-8-5-4-7-28(29)37-19-17-36(18-20-37)16-6-9-31(39)34-22-30-35-27-21-23(33)10-15-26(27)32(40)38(30)24-11-13-25(41-2)14-12-24/h4-5,7-8,10-15,21H,3,6,9,16-20,22H2,1-2H3,(H,34,39)
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n/an/a 49n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375927
PNG
(CHEMBL260022)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2cccc(OC)c2)CC1
Show InChI InChI=1S/C32H37N5O4/c1-3-41-29-15-7-6-14-28(29)36-20-18-35(19-21-36)17-9-16-31(38)33-23-30-34-27-13-5-4-12-26(27)32(39)37(30)24-10-8-11-25(22-24)40-2/h4-8,10-15,22H,3,9,16-21,23H2,1-2H3,(H,33,38)
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n/an/a 55n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375943
PNG
(CHEMBL261434)
Show SMILES Cc1cccc(N2CCN(CCCC(=O)NCc3nc4ccc(F)cc4c(=O)n3-c3ccccc3)CC2)c1C
Show InChI InChI=1S/C31H34FN5O2/c1-22-8-6-11-28(23(22)2)36-18-16-35(17-19-36)15-7-12-30(38)33-21-29-34-27-14-13-24(32)20-26(27)31(39)37(29)25-9-4-3-5-10-25/h3-6,8-11,13-14,20H,7,12,15-19,21H2,1-2H3,(H,33,38)
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n/an/a 55n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50361082
PNG
(CHEMBL1933404)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C17H28N2O3S/c1-4-5-14-22-16-6-8-17(9-7-16)23(20,21)19(3)15-10-12-18(2)13-11-15/h6-9,15H,4-5,10-14H2,1-3H3
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n/an/a 55n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHOK1 cells after 60 mins

Bioorg Med Chem Lett 22: 347-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.001
BindingDB Entry DOI: 10.7270/Q2125T3S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375935
PNG
(CHEMBL260906)
Show SMILES Fc1ccc2nc(CNC(=O)CCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C30H29F4N5O2/c31-22-11-12-26-25(19-22)29(41)39(23-7-2-1-3-8-23)27(36-26)20-35-28(40)10-5-13-37-14-16-38(17-15-37)24-9-4-6-21(18-24)30(32,33)34/h1-4,6-9,11-12,18-19H,5,10,13-17,20H2,(H,35,40)
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n/an/a 74n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375960
PNG
(CHEMBL261102)
Show SMILES Cc1cccc(N2CCN(CCCC(=O)NCc3nc4cc(F)ccc4c(=O)n3-c3ccccc3)CC2)c1C
Show InChI InChI=1S/C31H34FN5O2/c1-22-8-6-11-28(23(22)2)36-18-16-35(17-19-36)15-7-12-30(38)33-21-29-34-27-20-24(32)13-14-26(27)31(39)37(29)25-9-4-3-5-10-25/h3-6,8-11,13-14,20H,7,12,15-19,21H2,1-2H3,(H,33,38)
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n/an/a 75n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50361082
PNG
(CHEMBL1933404)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C17H28N2O3S/c1-4-5-14-22-16-6-8-17(9-7-16)23(20,21)19(3)15-10-12-18(2)13-11-15/h6-9,15H,4-5,10-14H2,1-3H3
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n/an/a 77n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human recombinant 5HT2A receptor expressed in CHOK1 cells after 60 mins

Bioorg Med Chem Lett 22: 347-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.001
BindingDB Entry DOI: 10.7270/Q2125T3S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375930
PNG
(CHEMBL409156)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2OC)CC1 |(3.69,-21.99,;4.41,-22.38,;5.12,-21.95,;5.84,-22.34,;6.55,-21.91,;6.52,-21.08,;5.79,-20.69,;5.1,-21.13,;4.37,-20.74,;3.67,-21.17,;2.94,-20.78,;2.92,-19.95,;2.21,-19.54,;1.49,-19.96,;.78,-19.54,;.06,-19.96,;.07,-20.78,;-.65,-19.55,;-1.37,-19.96,;-2.08,-19.55,;-2.8,-19.97,;-3.52,-19.56,;-4.24,-19.97,;-4.95,-19.56,;-4.95,-18.73,;-5.67,-18.32,;-4.24,-18.32,;-3.52,-18.73,;-2.81,-18.3,;-2.81,-17.48,;-2.08,-18.72,;-1.37,-18.31,;-.66,-18.72,;.06,-18.3,;.05,-17.48,;-.67,-17.07,;-1.38,-17.48,;-2.09,-17.08,;-2.1,-16.25,;3.62,-19.52,;4.35,-19.91,)|
Show InChI InChI=1S/C31H34FN5O4/c1-40-27-10-5-3-8-25(27)36-18-16-35(17-19-36)15-7-12-30(38)33-21-29-34-24-14-13-22(32)20-23(24)31(39)37(29)26-9-4-6-11-28(26)41-2/h3-6,8-11,13-14,20H,7,12,15-19,21H2,1-2H3,(H,33,38)
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n/an/a 79n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375986
PNG
(CHEMBL259626)
Show SMILES COc1ccccc1N1CCN(CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C29H31N5O3/c1-37-26-14-8-7-13-25(26)33-19-17-32(18-20-33)16-15-28(35)30-21-27-31-24-12-6-5-11-23(24)29(36)34(27)22-9-3-2-4-10-22/h2-14H,15-21H2,1H3,(H,30,35)
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n/an/a 80n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50375943
PNG
(CHEMBL261434)
Show SMILES Cc1cccc(N2CCN(CCCC(=O)NCc3nc4ccc(F)cc4c(=O)n3-c3ccccc3)CC2)c1C
Show InChI InChI=1S/C31H34FN5O2/c1-22-8-6-11-28(23(22)2)36-18-16-35(17-19-36)15-7-12-30(38)33-21-29-34-27-14-13-24(32)20-26(27)31(39)37(29)25-9-4-3-5-10-25/h3-6,8-11,13-14,20H,7,12,15-19,21H2,1-2H3,(H,33,38)
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n/an/a 80n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity at 5HT2C receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375956
PNG
(CHEMBL260705)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C30H32FN5O3/c1-39-27-11-6-5-10-26(27)35-18-16-34(17-19-35)15-7-12-29(37)32-21-28-33-25-20-22(31)13-14-24(25)30(38)36(28)23-8-3-2-4-9-23/h2-6,8-11,13-14,20H,7,12,15-19,21H2,1H3,(H,32,37)
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n/an/a 85n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375926
PNG
(CHEMBL258995)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2cccc(OC)c2)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-11-5-4-10-28(29)37-18-16-36(17-19-37)15-7-12-31(39)34-22-30-35-27-20-23(33)13-14-26(27)32(40)38(30)24-8-6-9-25(21-24)41-2/h4-6,8-11,13-14,20-21H,3,7,12,15-19,22H2,1-2H3,(H,34,39)
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n/an/a 91n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375952
PNG
(CHEMBL261019)
Show SMILES Fc1ccc2c(c1)nc(CNC(=O)CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)n(-c1ccccc1)c2=O
Show InChI InChI=1S/C30H29F4N5O2/c31-22-11-12-25-26(19-22)36-27(39(29(25)41)23-7-2-1-3-8-23)20-35-28(40)10-5-13-37-14-16-38(17-15-37)24-9-4-6-21(18-24)30(32,33)34/h1-4,6-9,11-12,18-19H,5,10,13-17,20H2,(H,35,40)
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n/an/a 92n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375988
PNG
(CHEMBL261291)
Show SMILES Cc1cccc(N2CCN(CCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)c1C
Show InChI InChI=1S/C30H33N5O2/c1-22-9-8-14-27(23(22)2)34-19-17-33(18-20-34)16-15-29(36)31-21-28-32-26-13-7-6-12-25(26)30(37)35(28)24-10-4-3-5-11-24/h3-14H,15-21H2,1-2H3,(H,31,36)
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n/an/a 95n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375923
PNG
(CHEMBL258956)
Show SMILES COc1ccc(cc1)-n1c(CNC(=O)CCCN2CCN(CC2)c2ccccc2OC)nc2ccccc2c1=O
Show InChI InChI=1S/C31H35N5O4/c1-39-24-15-13-23(14-16-24)36-29(33-26-9-4-3-8-25(26)31(36)38)22-32-30(37)12-7-17-34-18-20-35(21-19-34)27-10-5-6-11-28(27)40-2/h3-6,8-11,13-16H,7,12,17-22H2,1-2H3,(H,32,37)
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n/an/a 97n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375928
PNG
(CHEMBL407411)
Show SMILES COc1cccc(c1)-n1c(CNC(=O)CCCN2CCN(CC2)c2ccccc2OC)nc2ccccc2c1=O
Show InChI InChI=1S/C31H35N5O4/c1-39-24-10-7-9-23(21-24)36-29(33-26-12-4-3-11-25(26)31(36)38)22-32-30(37)15-8-16-34-17-19-35(20-18-34)27-13-5-6-14-28(27)40-2/h3-7,9-14,21H,8,15-20,22H2,1-2H3,(H,32,37)
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n/an/a 98n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50361069
PNG
(CHEMBL1933573)
Show SMILES CN(C1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C17H22N2O2S/c1-18-12-10-15(11-13-18)19(2)22(20,21)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15H,10-13H2,1-2H3
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n/an/a 99n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHOK1 cells after 60 mins

Bioorg Med Chem Lett 22: 347-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.001
BindingDB Entry DOI: 10.7270/Q2125T3S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375975
PNG
(CHEMBL260073)
Show SMILES Clc1cccc(c1)N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C29H30ClN5O2/c30-22-8-6-11-24(20-22)34-18-16-33(17-19-34)15-7-14-28(36)31-21-27-32-26-13-5-4-12-25(26)29(37)35(27)23-9-2-1-3-10-23/h1-6,8-13,20H,7,14-19,21H2,(H,31,36)
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n/an/a 110n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375931
PNG
(CHEMBL260514)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2OC)CC1 |(15.25,-15.8,;15.95,-15.37,;16.68,-15.76,;17.38,-15.33,;18.1,-15.72,;18.81,-15.29,;18.78,-14.46,;18.06,-14.07,;17.36,-14.51,;16.63,-14.12,;15.93,-14.54,;15.21,-14.16,;15.18,-13.33,;14.47,-12.92,;13.75,-13.33,;13.04,-12.92,;12.33,-13.34,;12.33,-14.16,;11.61,-12.93,;10.9,-13.34,;10.18,-12.93,;9.46,-13.35,;8.74,-12.94,;8.02,-13.35,;7.31,-12.94,;6.6,-13.35,;7.31,-12.11,;8.02,-11.7,;8.74,-12.1,;9.45,-11.68,;9.45,-10.86,;10.18,-12.1,;10.89,-11.68,;11.61,-12.1,;12.32,-11.68,;12.32,-10.86,;11.6,-10.45,;10.89,-10.86,;10.17,-10.45,;10.16,-9.63,;15.88,-12.9,;16.61,-13.29,)|
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-12-7-4-9-26(29)37-19-17-36(18-20-37)16-8-13-31(39)34-22-30-35-25-21-23(33)14-15-24(25)32(40)38(30)27-10-5-6-11-28(27)41-2/h4-7,9-12,14-15,21H,3,8,13,16-20,22H2,1-2H3,(H,34,39)
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n/an/a 110n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50375919
PNG
(CHEMBL406221)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccc(OC)cc2)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-8-5-4-7-28(29)37-19-17-36(18-20-37)16-6-9-31(39)34-22-30-35-27-15-10-23(33)21-26(27)32(40)38(30)24-11-13-25(41-2)14-12-24/h4-5,7-8,10-15,21H,3,6,9,16-20,22H2,1-2H3,(H,34,39)
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n/an/a 120n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity at 5HT1A receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375939
PNG
(CHEMBL259776)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C30H32FN5O3/c1-39-27-11-6-5-10-26(27)35-18-16-34(17-19-35)15-7-12-29(37)32-21-28-33-25-14-13-22(31)20-24(25)30(38)36(28)23-8-3-2-4-9-23/h2-6,8-11,13-14,20H,7,12,15-19,21H2,1H3,(H,32,37)
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n/an/a 120n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375946
PNG
(CHEMBL260970)
Show SMILES Fc1ccc2nc(CNC(=O)CCCN3CCN(CC3)c3cccc(Cl)c3)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C29H29ClFN5O2/c30-21-6-4-9-24(18-21)35-16-14-34(15-17-35)13-5-10-28(37)32-20-27-33-26-12-11-22(31)19-25(26)29(38)36(27)23-7-2-1-3-8-23/h1-4,6-9,11-12,18-19H,5,10,13-17,20H2,(H,32,37)
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n/an/a 130n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375912
PNG
(CHEMBL260074)
Show SMILES Clc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C29H30ClN5O2/c30-24-12-5-7-14-26(24)34-19-17-33(18-20-34)16-8-15-28(36)31-21-27-32-25-13-6-4-11-23(25)29(37)35(27)22-9-2-1-3-10-22/h1-7,9-14H,8,15-21H2,(H,31,36)
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n/an/a 130n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50375952
PNG
(CHEMBL261019)
Show SMILES Fc1ccc2c(c1)nc(CNC(=O)CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)n(-c1ccccc1)c2=O
Show InChI InChI=1S/C30H29F4N5O2/c31-22-11-12-25-26(19-22)36-27(39(29(25)41)23-7-2-1-3-8-23)20-35-28(40)10-5-13-37-14-16-38(17-15-37)24-9-4-6-21(18-24)30(32,33)34/h1-4,6-9,11-12,18-19H,5,10,13-17,20H2,(H,35,40)
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n/an/a 140n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity at 5HT1A receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50375919
PNG
(CHEMBL406221)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccc(OC)cc2)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-8-5-4-7-28(29)37-19-17-36(18-20-37)16-6-9-31(39)34-22-30-35-27-15-10-23(33)21-26(27)32(40)38(30)24-11-13-25(41-2)14-12-24/h4-5,7-8,10-15,21H,3,6,9,16-20,22H2,1-2H3,(H,34,39)
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n/an/a 140n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D2 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50149806
PNG
(2''-Amino-6''-(2-hydroxy-phenyl)-1,2,3,4,5,6-hexah...)
Show SMILES Nc1nc(cc(C2CCCNC2)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C17H18N4O/c18-9-14-13(11-4-3-7-20-10-11)8-15(21-17(14)19)12-5-1-2-6-16(12)22/h1-2,5-6,8,11,20,22H,3-4,7,10H2,(H2,19,21)
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n/an/a 150n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of IKK2 using 5-FAM-GRHDSGLDSMK-NH2 as substrate by TR-FRET assay

Bioorg Med Chem Lett 21: 3002-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.044
BindingDB Entry DOI: 10.7270/Q22V2GDS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375911
PNG
(CHEMBL260706)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C29H29Cl2N5O2/c30-24-13-12-22(19-25(24)31)35-17-15-34(16-18-35)14-6-11-28(37)32-20-27-33-26-10-5-4-9-23(26)29(38)36(27)21-7-2-1-3-8-21/h1-5,7-10,12-13,19H,6,11,14-18,20H2,(H,32,37)
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n/an/a 160n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50361073
PNG
(CHEMBL1933397)
Show SMILES CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(I)cc1
Show InChI InChI=1S/C13H19IN2O2S/c1-15-9-7-12(8-10-15)16(2)19(17,18)13-5-3-11(14)4-6-13/h3-6,12H,7-10H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human recombinant 5HT2A receptor expressed in CHOK1 cells after 60 mins

Bioorg Med Chem Lett 22: 347-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.001
BindingDB Entry DOI: 10.7270/Q2125T3S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50361076
PNG
(CHEMBL1933400)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C16H26N2O2S/c1-13(2)14-5-7-16(8-6-14)21(19,20)18(4)15-9-11-17(3)12-10-15/h5-8,13,15H,9-12H2,1-4H3
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n/an/a 161n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human recombinant 5HT2A receptor expressed in CHOK1 cells after 60 mins

Bioorg Med Chem Lett 22: 347-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.001
BindingDB Entry DOI: 10.7270/Q2125T3S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50361078
PNG
(CHEMBL1933401)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C15H24N2O2S/c1-4-13-5-7-15(8-6-13)20(18,19)17(3)14-9-11-16(2)12-10-14/h5-8,14H,4,9-12H2,1-3H3
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n/an/a 164n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHOK1 cells after 60 mins

Bioorg Med Chem Lett 22: 347-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.001
BindingDB Entry DOI: 10.7270/Q2125T3S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50361075
PNG
(CHEMBL1933399)
Show SMILES CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H22N2O2S/c1-12-4-6-14(7-5-12)19(17,18)16(3)13-8-10-15(2)11-9-13/h4-7,13H,8-11H2,1-3H3
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n/an/a 179n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHOK1 cells after 60 mins

Bioorg Med Chem Lett 22: 347-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.001
BindingDB Entry DOI: 10.7270/Q2125T3S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375907
PNG
(CHEMBL411105)
Show SMILES Fc1ccc2c(c1)nc(CNC(=O)CCCN1CCN(CC1)c1cccc(Cl)c1)n(-c1ccccc1)c2=O
Show InChI InChI=1S/C29H29ClFN5O2/c30-21-6-4-9-24(18-21)35-16-14-34(15-17-35)13-5-10-28(37)32-20-27-33-26-19-22(31)11-12-25(26)29(38)36(27)23-7-2-1-3-8-23/h1-4,6-9,11-12,18-19H,5,10,13-17,20H2,(H,32,37)
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n/an/a 190n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375920
PNG
(CHEMBL259407)
Show SMILES COc1ccc(cc1)-n1c(CNC(=O)CCCN2CCN(CC2)c2ccccc2OC)nc2ccc(F)cc2c1=O
Show InChI InChI=1S/C31H34FN5O4/c1-40-24-12-10-23(11-13-24)37-29(34-26-14-9-22(32)20-25(26)31(37)39)21-33-30(38)8-5-15-35-16-18-36(19-17-35)27-6-3-4-7-28(27)41-2/h3-4,6-7,9-14,20H,5,8,15-19,21H2,1-2H3,(H,33,38)
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n/an/a 190n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50375947
PNG
(CHEMBL405892)
Show SMILES Fc1ccc2nc(CNC(=O)CCCN3CCN(CC3)c3ccccc3Cl)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C29H29ClFN5O2/c30-24-9-4-5-10-26(24)35-17-15-34(16-18-35)14-6-11-28(37)32-20-27-33-25-13-12-21(31)19-23(25)29(38)36(27)22-7-2-1-3-8-22/h1-5,7-10,12-13,19H,6,11,14-18,20H2,(H,32,37)
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n/an/a 200n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor

Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
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