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PubMed code 25695425

Compile data set for download or QSAR
Found 62 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 1A


(Homo sapiens (Human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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PubMed
0.710n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50090078
PNG
(CHEMBL3581245)
Show SMILES [H][C@@]12Cc3cc(OCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C24H31NO4/c1-6-7-10-29-20-13-16-11-18-22-15(8-9-25(18)2)12-21(27-4)24(28-5)23(22)17(16)14-19(20)26-3/h12-14,18H,6-11H2,1-5H3/t18-/m0/s1
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15n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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18n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50089974
PNG
(CHEMBL3581254)
Show SMILES [H][C@@]12Cc3cc(OCC=C)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C23H27NO4/c1-6-9-28-19-12-15-10-17-21-14(7-8-24(17)2)11-20(26-4)23(27-5)22(21)16(15)13-18(19)25-3/h6,11-13,17H,1,7-10H2,2-5H3/t17-/m0/s1
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20n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50250422
PNG
((+)-N-methyl-laurotetanine | CHEMBL464099 | N-meth...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1
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20n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50089976
PNG
(CHEMBL3581252)
Show SMILES [H][C@@]12Cc3cc(OCC4CC4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C24H29NO4/c1-25-8-7-15-10-21(27-3)24(28-4)23-17-12-19(26-2)20(29-13-14-5-6-14)11-16(17)9-18(25)22(15)23/h10-12,14,18H,5-9,13H2,1-4H3/t18-/m0/s1
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22n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50089973
PNG
(CHEMBL3581255)
Show SMILES [H][C@@]12Cc3cc(OCc4ccccc4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C27H29NO4/c1-28-11-10-18-13-24(30-3)27(31-4)26-20-15-22(29-2)23(14-19(20)12-21(28)25(18)26)32-16-17-8-6-5-7-9-17/h5-9,13-15,21H,10-12,16H2,1-4H3/t21-/m0/s1
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23n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50089979
PNG
(CHEMBL3581250)
Show SMILES [H][C@@]12Cc3cc(OC(C)CCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C25H33NO4/c1-7-8-15(2)30-21-13-17-11-19-23-16(9-10-26(19)3)12-22(28-5)25(29-6)24(23)18(17)14-20(21)27-4/h12-15,19H,7-11H2,1-6H3/t15?,19-/m0/s1
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24n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50090077
PNG
(CHEMBL3580670)
Show SMILES [H][C@@]12Cc3cc(OCCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C25H33NO4/c1-6-7-8-11-30-21-14-17-12-19-23-16(9-10-26(19)2)13-22(28-4)25(29-5)24(23)18(17)15-20(21)27-3/h13-15,19H,6-12H2,1-5H3/t19-/m0/s1
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24n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50090001
PNG
(CHEMBL3581248)
Show SMILES [H][C@@]12Cc3cc(OC(C)C)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C67H112N22O12/c1-7-39(5)53(87-52(91)37-80-56(93)44(69)35-42-25-27-43(90)28-26-42)62(99)86-50(36-41-18-10-9-11-19-41)60(97)85-49(34-38(3)4)59(96)83-46(21-14-30-77-65(71)72)57(94)82-47(22-15-31-78-66(73)74)58(95)88-54(40(6)8-2)63(100)84-48(23-16-32-79-67(75)76)64(101)89-33-17-24-51(89)61(98)81-45(55(70)92)20-12-13-29-68/h9-11,18-19,25-28,38-40,44-51,53-54,90H,7-8,12-17,20-24,29-37,68-69H2,1-6H3,(H2,70,92)(H,80,93)(H,81,98)(H,82,94)(H,83,96)(H,84,100)(H,85,97)(H,86,99)(H,87,91)(H,88,95)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t39?,40-,44-,45-,46-,47-,48-,49-,50-,51+,53+,54-/m0/s1
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28n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50089980
PNG
(CHEMBL3581249)
Show SMILES [H][C@@]12Cc3cc(OC(C)CC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C24H31NO4/c1-7-14(2)29-20-12-16-10-18-22-15(8-9-25(18)3)11-21(27-5)24(28-6)23(22)17(16)13-19(20)26-4/h11-14,18H,7-10H2,1-6H3/t14?,18-/m0/s1
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34n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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37n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50089977
PNG
(CHEMBL3581251)
Show SMILES [H][C@@]12Cc3cc(OC(C)CCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C26H35NO4/c1-7-8-9-16(2)31-22-14-18-12-20-24-17(10-11-27(20)3)13-23(29-5)26(30-6)25(24)19(18)15-21(22)28-4/h13-16,20H,7-12H2,1-6H3/t16?,20-/m0/s1
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38n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50197829
PNG
((S)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrah...)
Show SMILES COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34 |r|
Show InChI InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1
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43n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50089975
PNG
(CHEMBL3581253)
Show SMILES [H][C@@]12Cc3cc(OC4CCCCC4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C26H33NO4/c1-27-11-10-16-13-23(29-3)26(30-4)25-19-15-21(28-2)22(31-18-8-6-5-7-9-18)14-17(19)12-20(27)24(16)25/h13-15,18,20H,5-12H2,1-4H3/t20-/m0/s1
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50n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50090007
PNG
(CHEMBL3581247)
Show SMILES [H][C@@]12Cc3cc(OCCF)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C22H26FNO4/c1-24-7-5-13-10-19(26-3)22(27-4)21-15-12-17(25-2)18(28-8-6-23)11-14(15)9-16(24)20(13)21/h10-12,16H,5-9H2,1-4H3/t16-/m0/s1
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52n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50089972
PNG
(CHEMBL3581256)
Show SMILES [H][C@@]12Cc3cc(OCc4ccc(Br)cc4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C27H28BrNO4/c1-29-10-9-17-12-24(31-3)27(32-4)26-20-14-22(30-2)23(13-18(20)11-21(29)25(17)26)33-15-16-5-7-19(28)8-6-16/h5-8,12-14,21H,9-11,15H2,1-4H3/t21-/m0/s1
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54n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50090008
PNG
(CHEMBL3581246)
Show SMILES [H][C@@]12Cc3cc(OCCCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C26H35NO4/c1-6-7-8-9-12-31-22-15-18-13-20-24-17(10-11-27(20)2)14-23(29-4)26(30-5)25(24)19(18)16-21(22)28-3/h14-16,20H,6-13H2,1-5H3/t20-/m0/s1
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58n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50090079
PNG
(CHEMBL3581244)
Show SMILES [H][C@@]12Cc3cc(OCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C22H27NO4/c1-6-27-18-11-14-9-16-20-13(7-8-23(16)2)10-19(25-4)22(26-5)21(20)15(14)12-17(18)24-3/h10-12,16H,6-9H2,1-5H3/t16-/m0/s1
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69n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50089973
PNG
(CHEMBL3581255)
Show SMILES [H][C@@]12Cc3cc(OCc4ccccc4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C27H29NO4/c1-28-11-10-18-13-24(30-3)27(31-4)26-20-15-22(29-2)23(14-19(20)12-21(28)25(18)26)32-16-17-8-6-5-7-9-17/h5-9,13-15,21H,10-12,16H2,1-4H3/t21-/m0/s1
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92n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50089972
PNG
(CHEMBL3581256)
Show SMILES [H][C@@]12Cc3cc(OCc4ccc(Br)cc4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C27H28BrNO4/c1-29-10-9-17-12-24(31-3)27(32-4)26-20-14-22(30-2)23(13-18(20)11-21(29)25(17)26)33-15-16-5-7-19(28)8-6-16/h5-8,12-14,21H,9-11,15H2,1-4H3/t21-/m0/s1
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102n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50089979
PNG
(CHEMBL3581250)
Show SMILES [H][C@@]12Cc3cc(OC(C)CCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C25H33NO4/c1-7-8-15(2)30-21-13-17-11-19-23-16(9-10-26(19)3)12-22(28-5)25(29-6)24(23)18(17)14-20(21)27-4/h12-15,19H,7-11H2,1-6H3/t15?,19-/m0/s1
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117n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50089977
PNG
(CHEMBL3581251)
Show SMILES [H][C@@]12Cc3cc(OC(C)CCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C26H35NO4/c1-7-8-9-16(2)31-22-14-18-12-20-24-17(10-11-27(20)3)13-23(29-5)26(30-6)25(24)19(18)15-21(22)28-4/h13-16,20H,7-12H2,1-6H3/t16?,20-/m0/s1
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152n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50090078
PNG
(CHEMBL3581245)
Show SMILES [H][C@@]12Cc3cc(OCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C24H31NO4/c1-6-7-10-29-20-13-16-11-18-22-15(8-9-25(18)2)12-21(27-4)24(28-5)23(22)17(16)14-19(20)26-3/h12-14,18H,6-11H2,1-5H3/t18-/m0/s1
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153n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50089975
PNG
(CHEMBL3581253)
Show SMILES [H][C@@]12Cc3cc(OC4CCCCC4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C26H33NO4/c1-27-11-10-16-13-23(29-3)26(30-4)25-19-15-21(28-2)22(31-18-8-6-5-7-9-18)14-17(19)12-20(27)24(16)25/h13-15,18,20H,5-12H2,1-4H3/t20-/m0/s1
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163n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50197829
PNG
((S)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrah...)
Show SMILES COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34 |r|
Show InChI InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1
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171n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50090077
PNG
(CHEMBL3580670)
Show SMILES [H][C@@]12Cc3cc(OCCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C25H33NO4/c1-6-7-8-11-30-21-14-17-12-19-23-16(9-10-26(19)2)13-22(28-4)25(29-5)24(23)18(17)15-20(21)27-3/h13-15,19H,6-12H2,1-5H3/t19-/m0/s1
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179n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50089973
PNG
(CHEMBL3581255)
Show SMILES [H][C@@]12Cc3cc(OCc4ccccc4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C27H29NO4/c1-28-11-10-18-13-24(30-3)27(31-4)26-20-15-22(29-2)23(14-19(20)12-21(28)25(18)26)32-16-17-8-6-5-7-9-17/h5-9,13-15,21H,10-12,16H2,1-4H3/t21-/m0/s1
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216n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50089976
PNG
(CHEMBL3581252)
Show SMILES [H][C@@]12Cc3cc(OCC4CC4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C24H29NO4/c1-25-8-7-15-10-21(27-3)24(28-4)23-17-12-19(26-2)20(29-13-14-5-6-14)11-16(17)9-18(25)22(15)23/h10-12,14,18H,5-9,13H2,1-4H3/t18-/m0/s1
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224n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50090077
PNG
(CHEMBL3580670)
Show SMILES [H][C@@]12Cc3cc(OCCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C25H33NO4/c1-6-7-8-11-30-21-14-17-12-19-23-16(9-10-26(19)2)13-22(28-4)25(29-5)24(23)18(17)15-20(21)27-3/h13-15,19H,6-12H2,1-5H3/t19-/m0/s1
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239n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50089979
PNG
(CHEMBL3581250)
Show SMILES [H][C@@]12Cc3cc(OC(C)CCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C25H33NO4/c1-7-8-15(2)30-21-13-17-11-19-23-16(9-10-26(19)3)12-22(28-5)25(29-6)24(23)18(17)14-20(21)27-4/h12-15,19H,7-11H2,1-6H3/t15?,19-/m0/s1
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244n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50089980
PNG
(CHEMBL3581249)
Show SMILES [H][C@@]12Cc3cc(OC(C)CC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C24H31NO4/c1-7-14(2)29-20-12-16-10-18-22-15(8-9-25(18)3)11-21(27-5)24(28-6)23(22)17(16)13-19(20)26-4/h11-14,18H,7-10H2,1-6H3/t14?,18-/m0/s1
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244n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50090078
PNG
(CHEMBL3581245)
Show SMILES [H][C@@]12Cc3cc(OCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C24H31NO4/c1-6-7-10-29-20-13-16-11-18-22-15(8-9-25(18)2)12-21(27-4)24(28-5)23(22)17(16)14-19(20)26-3/h12-14,18H,6-11H2,1-5H3/t18-/m0/s1
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268n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50090008
PNG
(CHEMBL3581246)
Show SMILES [H][C@@]12Cc3cc(OCCCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C26H35NO4/c1-6-7-8-9-12-31-22-15-18-13-20-24-17(10-11-27(20)2)14-23(29-4)26(30-5)25(24)19(18)16-21(22)28-3/h14-16,20H,6-13H2,1-5H3/t20-/m0/s1
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273n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50250422
PNG
((+)-N-methyl-laurotetanine | CHEMBL464099 | N-meth...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1
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306n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50250422
PNG
((+)-N-methyl-laurotetanine | CHEMBL464099 | N-meth...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1
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314n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50250422
PNG
((+)-N-methyl-laurotetanine | CHEMBL464099 | N-meth...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1
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323n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT2B receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50089974
PNG
(CHEMBL3581254)
Show SMILES [H][C@@]12Cc3cc(OCC=C)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C23H27NO4/c1-6-9-28-19-12-15-10-17-21-14(7-8-24(17)2)11-20(26-4)23(27-5)22(21)16(15)13-18(19)25-3/h6,11-13,17H,1,7-10H2,2-5H3/t17-/m0/s1
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361n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50250422
PNG
((+)-N-methyl-laurotetanine | CHEMBL464099 | N-meth...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1
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373n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human recombinant dopamine D1 receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50089980
PNG
(CHEMBL3581249)
Show SMILES [H][C@@]12Cc3cc(OC(C)CC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C24H31NO4/c1-7-14(2)29-20-12-16-10-18-22-15(8-9-25(18)3)11-21(27-5)24(28-6)23(22)17(16)13-19(20)26-4/h11-14,18H,7-10H2,1-6H3/t14?,18-/m0/s1
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377n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50089974
PNG
(CHEMBL3581254)
Show SMILES [H][C@@]12Cc3cc(OCC=C)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C23H27NO4/c1-6-9-28-19-12-15-10-17-21-14(7-8-24(17)2)11-20(26-4)23(27-5)22(21)16(15)13-18(19)25-3/h6,11-13,17H,1,7-10H2,2-5H3/t17-/m0/s1
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383n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50089972
PNG
(CHEMBL3581256)
Show SMILES [H][C@@]12Cc3cc(OCc4ccc(Br)cc4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C27H28BrNO4/c1-29-10-9-17-12-24(31-3)27(32-4)26-20-14-22(30-2)23(13-18(20)11-21(29)25(17)26)33-15-16-5-7-19(28)8-6-16/h5-8,12-14,21H,9-11,15H2,1-4H3/t21-/m0/s1
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418n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50089977
PNG
(CHEMBL3581251)
Show SMILES [H][C@@]12Cc3cc(OC(C)CCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C26H35NO4/c1-7-8-9-16(2)31-22-14-18-12-20-24-17(10-11-27(20)3)13-23(29-5)26(30-6)25(24)19(18)15-21(22)28-4/h13-16,20H,7-12H2,1-6H3/t16?,20-/m0/s1
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446n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50090079
PNG
(CHEMBL3581244)
Show SMILES [H][C@@]12Cc3cc(OCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C22H27NO4/c1-6-27-18-11-14-9-16-20-13(7-8-23(16)2)10-19(25-4)22(26-5)21(20)15(14)12-17(18)24-3/h10-12,16H,6-9H2,1-5H3/t16-/m0/s1
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506n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50090001
PNG
(CHEMBL3581248)
Show SMILES [H][C@@]12Cc3cc(OC(C)C)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C67H112N22O12/c1-7-39(5)53(87-52(91)37-80-56(93)44(69)35-42-25-27-43(90)28-26-42)62(99)86-50(36-41-18-10-9-11-19-41)60(97)85-49(34-38(3)4)59(96)83-46(21-14-30-77-65(71)72)57(94)82-47(22-15-31-78-66(73)74)58(95)88-54(40(6)8-2)63(100)84-48(23-16-32-79-67(75)76)64(101)89-33-17-24-51(89)61(98)81-45(55(70)92)20-12-13-29-68/h9-11,18-19,25-28,38-40,44-51,53-54,90H,7-8,12-17,20-24,29-37,68-69H2,1-6H3,(H2,70,92)(H,80,93)(H,81,98)(H,82,94)(H,83,96)(H,84,100)(H,85,97)(H,86,99)(H,87,91)(H,88,95)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t39?,40-,44-,45-,46-,47-,48-,49-,50-,51+,53+,54-/m0/s1
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563n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50250422
PNG
((+)-N-methyl-laurotetanine | CHEMBL464099 | N-meth...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1
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566n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT5A receptor expressed in Flp-In CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50089975
PNG
(CHEMBL3581253)
Show SMILES [H][C@@]12Cc3cc(OC4CCCCC4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C26H33NO4/c1-27-11-10-16-13-23(29-3)26(30-4)25-19-15-21(28-2)22(31-18-8-6-5-7-9-18)14-17(19)12-20(27)24(16)25/h13-15,18,20H,5-12H2,1-4H3/t20-/m0/s1
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570n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50090008
PNG
(CHEMBL3581246)
Show SMILES [H][C@@]12Cc3cc(OCCCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C26H35NO4/c1-6-7-8-9-12-31-22-15-18-13-20-24-17(10-11-27(20)2)14-23(29-4)26(30-5)25(24)19(18)16-21(22)28-3/h14-16,20H,6-13H2,1-5H3/t20-/m0/s1
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570n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50089976
PNG
(CHEMBL3581252)
Show SMILES [H][C@@]12Cc3cc(OCC4CC4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C24H29NO4/c1-25-8-7-15-10-21(27-3)24(28-4)23-17-12-19(26-2)20(29-13-14-5-6-14)11-16(17)9-18(25)22(15)23/h10-12,14,18H,5-9,13H2,1-4H3/t18-/m0/s1
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582n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50090001
PNG
(CHEMBL3581248)
Show SMILES [H][C@@]12Cc3cc(OC(C)C)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C67H112N22O12/c1-7-39(5)53(87-52(91)37-80-56(93)44(69)35-42-25-27-43(90)28-26-42)62(99)86-50(36-41-18-10-9-11-19-41)60(97)85-49(34-38(3)4)59(96)83-46(21-14-30-77-65(71)72)57(94)82-47(22-15-31-78-66(73)74)58(95)88-54(40(6)8-2)63(100)84-48(23-16-32-79-67(75)76)64(101)89-33-17-24-51(89)61(98)81-45(55(70)92)20-12-13-29-68/h9-11,18-19,25-28,38-40,44-51,53-54,90H,7-8,12-17,20-24,29-37,68-69H2,1-6H3,(H2,70,92)(H,80,93)(H,81,98)(H,82,94)(H,83,96)(H,84,100)(H,85,97)(H,86,99)(H,87,91)(H,88,95)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t39?,40-,44-,45-,46-,47-,48-,49-,50-,51+,53+,54-/m0/s1
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750n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50090079
PNG
(CHEMBL3581244)
Show SMILES [H][C@@]12Cc3cc(OCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C22H27NO4/c1-6-27-18-11-14-9-16-20-13(7-8-23(16)2)10-19(25-4)22(26-5)21(20)15(14)12-17(18)24-3/h10-12,16H,6-9H2,1-5H3/t16-/m0/s1
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818n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50090007
PNG
(CHEMBL3581247)
Show SMILES [H][C@@]12Cc3cc(OCCF)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C22H26FNO4/c1-24-7-5-13-10-19(26-3)22(27-4)21-15-12-17(25-2)18(28-8-6-23)11-14(15)9-16(24)20(13)21/h10-12,16H,5-9H2,1-4H3/t16-/m0/s1
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845n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50250422
PNG
((+)-N-methyl-laurotetanine | CHEMBL464099 | N-meth...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1
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>950n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human recombinant adrenergic beta2 receptor expressed in CHO Flp-In cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50250422
PNG
((+)-N-methyl-laurotetanine | CHEMBL464099 | N-meth...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1
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>950n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human recombinant NET expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50250422
PNG
((+)-N-methyl-laurotetanine | CHEMBL464099 | N-meth...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1
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>950n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human recombinant SERT expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50250422
PNG
((+)-N-methyl-laurotetanine | CHEMBL464099 | N-meth...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1
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>950n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant adrenergic alpha1B receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50250422
PNG
((+)-N-methyl-laurotetanine | CHEMBL464099 | N-meth...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1
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>950n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human recombinant adrenergic alpha2C receptor expressed in MDCK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50250422
PNG
((+)-N-methyl-laurotetanine | CHEMBL464099 | N-meth...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1
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>950n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human recombinant DAT expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50250422
PNG
((+)-N-methyl-laurotetanine | CHEMBL464099 | N-meth...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1
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>950n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50250422
PNG
((+)-N-methyl-laurotetanine | CHEMBL464099 | N-meth...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1
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>950n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5-HT2C receptor expressed in Flp-IN HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50197829
PNG
((S)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrah...)
Show SMILES COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34 |r|
Show InChI InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1
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966n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50090007
PNG
(CHEMBL3581247)
Show SMILES [H][C@@]12Cc3cc(OCCF)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C22H26FNO4/c1-24-7-5-13-10-19(26-3)22(27-4)21-15-12-17(25-2)18(28-8-6-23)11-14(15)9-16(24)20(13)21/h10-12,16H,5-9H2,1-4H3/t16-/m0/s1
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1.16E+3n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%