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Compile Data Set for Download or QSAR

Found 698 hits with Last Name = 'sage' and Initial = 'c'   
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
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374104
PNG
(CHEMBL255962)
Show SMILES CC1CCCN1CCc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12
Show InChI InChI=1/C27H34N2/c1-21-6-5-16-29(21)17-15-22-9-11-24(12-10-22)26-14-13-25-19-28(20-27(25)26)18-23-7-3-2-4-8-23/h2-4,7-12,14,21,25,27H,5-6,13,15-20H2,1H3
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0.0500n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374100
PNG
(CHEMBL270011)
Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(Cc3ccccc3)C[C@@H]12)N1CCCC1
Show InChI InChI=1S/C26H32N2/c1-2-6-22(7-3-1)18-28-19-24-12-13-25(26(24)20-28)23-10-8-21(9-11-23)14-17-27-15-4-5-16-27/h1-3,6-11,13,24,26H,4-5,12,14-20H2/t24-,26+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50232355
PNG
((3aR,6aR)-2-(cyclopropylmethyl)-6-(4-(2-(pyrrolidi...)
Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(CC3CC3)C[C@@H]12)N1CCCC1
Show InChI InChI=1/C23H32N2/c1-2-13-24(12-1)14-11-18-5-7-20(8-6-18)22-10-9-21-16-25(17-23(21)22)15-19-3-4-19/h5-8,10,19,21,23H,1-4,9,11-17H2/t21-,23+/s2
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0.0700n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374110
PNG
(CHEMBL401954)
Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(C[C@@H]12)C1CCCC1)N1CCCC1
Show InChI InChI=1S/C24H34N2/c1-2-6-22(5-1)26-17-21-11-12-23(24(21)18-26)20-9-7-19(8-10-20)13-16-25-14-3-4-15-25/h7-10,12,21-22,24H,1-6,11,13-18H2/t21-,24+/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50232355
PNG
((3aR,6aR)-2-(cyclopropylmethyl)-6-(4-(2-(pyrrolidi...)
Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(CC3CC3)C[C@@H]12)N1CCCC1
Show InChI InChI=1/C23H32N2/c1-2-13-24(12-1)14-11-18-5-7-20(8-6-18)22-10-9-21-16-25(17-23(21)22)15-19-3-4-19/h5-8,10,19,21,23H,1-4,9,11-17H2/t21-,23+/s2
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0.100n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374102
PNG
(CHEMBL402297)
Show SMILES OC[C@@H]1CCCN1CCc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12
Show InChI InChI=1S/C27H34N2O/c30-20-25-7-4-15-29(25)16-14-21-8-10-23(11-9-21)26-13-12-24-18-28(19-27(24)26)17-22-5-2-1-3-6-22/h1-3,5-6,8-11,13,24-25,27,30H,4,7,12,14-20H2/t24?,25-,27?/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374109
PNG
(CHEMBL255840)
Show SMILES CC(C)N1C[C@@H]2CC=C([C@@H]2C1)c1ccc(CCN2CCCC2)cc1
Show InChI InChI=1S/C22H32N2/c1-17(2)24-15-20-9-10-21(22(20)16-24)19-7-5-18(6-8-19)11-14-23-12-3-4-13-23/h5-8,10,17,20,22H,3-4,9,11-16H2,1-2H3/t20-,22+/m0/s1
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0.290n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374095
PNG
(CHEMBL255752)
Show SMILES C(Cc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12)N1CCCC1
Show InChI InChI=1/C26H32N2/c1-2-6-22(7-3-1)18-28-19-24-12-13-25(26(24)20-28)23-10-8-21(9-11-23)14-17-27-15-4-5-16-27/h1-3,6-11,13,24,26H,4-5,12,14-20H2
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0.300n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50206734
PNG
(CHEMBL3959570)
Show SMILES C(c1cccs1)c1cccc2N3CCNCC3CCc12
Show InChI InChI=1/C17H20N2S/c1-3-13(11-15-4-2-10-20-15)16-7-6-14-12-18-8-9-19(14)17(16)5-1/h1-5,10,14,18H,6-9,11-12H2
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0.316n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50206719
PNG
(CHEMBL3956394)
Show SMILES Fc1ccc2N3CCNCC3CCc2c1Cc1ccccc1
Show InChI InChI=1/C19H21FN2/c20-18-8-9-19-16(7-6-15-13-21-10-11-22(15)19)17(18)12-14-4-2-1-3-5-14/h1-5,8-9,15,21H,6-7,10-13H2
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0.398n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50206725
PNG
(CHEMBL3947276)
Show SMILES CCCc1cccc2N3CCNCC3CCc12
Show InChI InChI=1/C15H22N2/c1-2-4-12-5-3-6-15-14(12)8-7-13-11-16-9-10-17(13)15/h3,5-6,13,16H,2,4,7-11H2,1H3
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0.398n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374098
PNG
(CHEMBL256225)
Show SMILES C(Cc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12)N1CCCCC1
Show InChI InChI=1/C27H34N2/c1-3-7-23(8-4-1)19-29-20-25-13-14-26(27(25)21-29)24-11-9-22(10-12-24)15-18-28-16-5-2-6-17-28/h1,3-4,7-12,14,25,27H,2,5-6,13,15-21H2
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0.400n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374101
PNG
(CHEMBL410623)
Show SMILES C(Cc1ccc(cc1)C1=CCC2CN(CC12)C1CCCC1)N1CCCC1
Show InChI InChI=1/C24H34N2/c1-2-6-22(5-1)26-17-21-11-12-23(24(21)18-26)20-9-7-19(8-10-20)13-16-25-14-3-4-15-25/h7-10,12,21-22,24H,1-6,11,13-18H2
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0.400n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374103
PNG
(CHEMBL255961)
Show SMILES OC[C@H]1CCCN1CCc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12
Show InChI InChI=1S/C27H34N2O/c30-20-25-7-4-15-29(25)16-14-21-8-10-23(11-9-21)26-13-12-24-18-28(19-27(24)26)17-22-5-2-1-3-6-22/h1-3,5-6,8-11,13,24-25,27,30H,4,7,12,14-20H2/t24?,25-,27?/m1/s1
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0.510n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50206714
PNG
(CHEMBL3919795)
Show SMILES C(c1ccccc1)c1cccc2N3CCNCC3CCc12
Show InChI InChI=1/C19H22N2/c1-2-5-15(6-3-1)13-16-7-4-8-19-18(16)10-9-17-14-20-11-12-21(17)19/h1-8,17,20H,9-14H2
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0.631n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50206719
PNG
(CHEMBL3956394)
Show SMILES Fc1ccc2N3CCNCC3CCc2c1Cc1ccccc1
Show InChI InChI=1/C19H21FN2/c20-18-8-9-19-16(7-6-15-13-21-10-11-22(15)19)17(18)12-14-4-2-1-3-5-14/h1-5,8-9,15,21H,6-7,10-13H2
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0.631n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50206724
PNG
(CHEMBL3912721)
Show SMILES C(C1CCC1)c1cccc2N3CCNCC3CCc12
Show InChI InChI=1/C17H24N2/c1-3-13(4-1)11-14-5-2-6-17-16(14)8-7-15-12-18-9-10-19(15)17/h2,5-6,13,15,18H,1,3-4,7-12H2
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0.631n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374111
PNG
(CHEMBL409899)
Show SMILES C(Cc1ccc(cc1)C1=CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)N1CCCC1
Show InChI InChI=1S/C26H32N2/c1-2-6-22(7-3-1)18-28-19-24-12-13-25(26(24)20-28)23-10-8-21(9-11-23)14-17-27-15-4-5-16-27/h1-3,6-11,13,24,26H,4-5,12,14-20H2/t24-,26+/m1/s1
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0.75n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50206716
PNG
(CHEMBL3935339)
Show SMILES C(c1ccc2OCOc2c1)c1cccc2N3CCNCC3CCc12
Show InChI InChI=1/C20H22N2O2/c1-2-15(10-14-4-7-19-20(11-14)24-13-23-19)17-6-5-16-12-21-8-9-22(16)18(17)3-1/h1-4,7,11,16,21H,5-6,8-10,12-13H2
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0.794n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374107
PNG
(CHEMBL270440)
Show SMILES CC(C)N1CC2CC=C(C2C1)c1ccc(CCN2CCCC2)cc1
Show InChI InChI=1/C22H32N2/c1-17(2)24-15-20-9-10-21(22(20)16-24)19-7-5-18(6-8-19)11-14-23-12-3-4-13-23/h5-8,10,17,20,22H,3-4,9,11-16H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
PTGIR


(RAT)
BDBM23954
PNG
(5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...)
Show SMILES CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O
Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
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1n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from recombinant rat IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation count...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50206714
PNG
(CHEMBL3919795)
Show SMILES C(c1ccccc1)c1cccc2N3CCNCC3CCc12
Show InChI InChI=1/C19H22N2/c1-2-5-15(6-3-1)13-16-7-4-8-19-18(16)10-9-17-14-20-11-12-21(17)19/h1-8,17,20H,9-14H2
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1.60n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50206716
PNG
(CHEMBL3935339)
Show SMILES C(c1ccc2OCOc2c1)c1cccc2N3CCNCC3CCc12
Show InChI InChI=1/C20H22N2O2/c1-2-15(10-14-4-7-19-20(11-14)24-13-23-19)17-6-5-16-12-21-8-9-22(16)18(17)3-1/h1-4,7,11,16,21H,5-6,8-10,12-13H2
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1.60n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374097
PNG
(CHEMBL255166)
Show SMILES C(Cc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12)N1CCOCC1
Show InChI InChI=1/C26H32N2O/c1-2-4-22(5-3-1)18-28-19-24-10-11-25(26(24)20-28)23-8-6-21(7-9-23)12-13-27-14-16-29-17-15-27/h1-9,11,24,26H,10,12-20H2
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1.70n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374105
PNG
(CHEMBL429418)
Show SMILES C(Cc1ccc(cc1)C1=CCC2CN(CC12)c1ccccn1)N1CCCC1
Show InChI InChI=1/C24H29N3/c1-2-13-25-24(5-1)27-17-21-10-11-22(23(21)18-27)20-8-6-19(7-9-20)12-16-26-14-3-4-15-26/h1-2,5-9,11,13,21,23H,3-4,10,12,14-18H2
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2n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374108
PNG
(CHEMBL273202)
Show SMILES CN(C)CCc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12
Show InChI InChI=1/C24H30N2/c1-25(2)15-14-19-8-10-21(11-9-19)23-13-12-22-17-26(18-24(22)23)16-20-6-4-3-5-7-20/h3-11,13,22,24H,12,14-18H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374099
PNG
(CHEMBL256648)
Show SMILES C(Cc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12)N1CCC1
Show InChI InChI=1/C25H30N2/c1-2-5-21(6-3-1)17-27-18-23-11-12-24(25(23)19-27)22-9-7-20(8-10-22)13-16-26-14-4-15-26/h1-3,5-10,12,23,25H,4,11,13-19H2
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2.40n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374094
PNG
(CHEMBL402296)
Show SMILES FC1(F)CCN(CCc2ccc(cc2)C2=CCC3CN(Cc4ccccc4)CC23)C1
Show InChI InChI=1/C26H30F2N2/c27-26(28)13-15-29(19-26)14-12-20-6-8-22(9-7-20)24-11-10-23-17-30(18-25(23)24)16-21-4-2-1-3-5-21/h1-9,11,23,25H,10,12-19H2
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2.80n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235385
PNG
(APD-811 | RALINEPAG | Ralinepag)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18-
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3n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from recombinant human IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation cou...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM23954
PNG
(5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...)
Show SMILES CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O
Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from recombinant human IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation cou...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50206725
PNG
(CHEMBL3947276)
Show SMILES CCCc1cccc2N3CCNCC3CCc12
Show InChI InChI=1/C15H22N2/c1-2-4-12-5-3-6-15-14(12)8-7-13-11-16-9-10-17(13)15/h3,5-6,13,16H,2,4,7-11H2,1H3
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6.30n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT2A receptor (unknown origin) expressed in HEK293 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by scintil...


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50206718
PNG
(CHEMBL3895972)
Show SMILES CC1(C)Cc2cccc(Cl)c2N2CCNCC12
Show InChI InChI=1/C14H19ClN2/c1-14(2)8-10-4-3-5-11(15)13(10)17-7-6-16-9-12(14)17/h3-5,12,16H,6-9H2,1-2H3
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6.30n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2B receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235370
PNG
(CHEMBL3933704)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1
Show InChI InChI=1/C23H26FNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18-
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7n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from recombinant human IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation cou...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374112
PNG
(CHEMBL258302)
Show SMILES C(Cc1ccc(cc1)C1=CCC2CN(CC12)c1cncnc1)N1CCCC1
Show InChI InChI=1/C23H28N4/c1-2-11-26(10-1)12-9-18-3-5-19(6-4-18)22-8-7-20-15-27(16-23(20)22)21-13-24-17-25-14-21/h3-6,8,13-14,17,20,23H,1-2,7,9-12,15-16H2
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7n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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7.90n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50206724
PNG
(CHEMBL3912721)
Show SMILES C(C1CCC1)c1cccc2N3CCNCC3CCc12
Show InChI InChI=1/C17H24N2/c1-3-13(4-1)11-14-5-2-6-17-16(14)8-7-15-12-18-9-10-19(15)17/h2,5-6,13,15,18H,1,3-4,7-12H2
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7.90n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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10n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2B receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50206719
PNG
(CHEMBL3956394)
Show SMILES Fc1ccc2N3CCNCC3CCc2c1Cc1ccccc1
Show InChI InChI=1/C19H21FN2/c20-18-8-9-19-16(7-6-15-13-21-10-11-22(15)19)17(18)12-14-4-2-1-3-5-14/h1-5,8-9,15,21H,6-7,10-13H2
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13n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2B receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50206734
PNG
(CHEMBL3959570)
Show SMILES C(c1cccs1)c1cccc2N3CCNCC3CCc12
Show InChI InChI=1/C17H20N2S/c1-3-13(11-15-4-2-10-20-15)16-7-6-14-12-18-8-9-19(14)17(16)5-1/h1-5,10,14,18H,6-9,11-12H2
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25n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT2A receptor (unknown origin) expressed in HEK293 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by scintil...


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50206734
PNG
(CHEMBL3959570)
Show SMILES C(c1cccs1)c1cccc2N3CCNCC3CCc12
Show InChI InChI=1/C17H20N2S/c1-3-13(11-15-4-2-10-20-15)16-7-6-14-12-18-8-9-19(14)17(16)5-1/h1-5,10,14,18H,6-9,11-12H2
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25n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2B receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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25n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT2A receptor (unknown origin) expressed in HEK293 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by scintil...


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50206725
PNG
(CHEMBL3947276)
Show SMILES CCCc1cccc2N3CCNCC3CCc12
Show InChI InChI=1/C15H22N2/c1-2-4-12-5-3-6-15-14(12)8-7-13-11-16-9-10-17(13)15/h3,5-6,13,16H,2,4,7-11H2,1H3
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25n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2B receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374113
PNG
(CHEMBL255847)
Show SMILES C(Cc1ccc(cc1)C1=CCC2CN(CC12)c1ncccn1)N1CCCC1
Show InChI InChI=1/C23H28N4/c1-2-14-26(13-1)15-10-18-4-6-19(7-5-18)21-9-8-20-16-27(17-22(20)21)23-24-11-3-12-25-23/h3-7,9,11-12,20,22H,1-2,8,10,13-17H2
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36n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50206714
PNG
(CHEMBL3919795)
Show SMILES C(c1ccccc1)c1cccc2N3CCNCC3CCc12
Show InChI InChI=1/C19H22N2/c1-2-5-15(6-3-1)13-16-7-4-8-19-18(16)10-9-17-14-20-11-12-21(17)19/h1-8,17,20H,9-14H2
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40n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2B receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23515
PNG
(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)
Show SMILES OC(=O)c1cccnc1
Show InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
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50n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in CHO cells


J Med Chem 51: 5101-8 (2008)


Article DOI: 10.1021/jm800258p
BindingDB Entry DOI: 10.7270/Q2CF9PWV
More data for this
Ligand-Target Pair
PTGIR


(RAT)
BDBM50235370
PNG
(CHEMBL3933704)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1
Show InChI InChI=1/C23H26FNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18-
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51n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from recombinant rat IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation count...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374096
PNG
(CHEMBL404753)
Show SMILES CN1CCN(CCc2ccc(cc2)C2=CCC3CN(Cc4ccccc4)CC23)CC1
Show InChI InChI=1/C27H35N3/c1-28-15-17-29(18-16-28)14-13-22-7-9-24(10-8-22)26-12-11-25-20-30(21-27(25)26)19-23-5-3-2-4-6-23/h2-10,12,25,27H,11,13-21H2,1H3
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58n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50206724
PNG
(CHEMBL3912721)
Show SMILES C(C1CCC1)c1cccc2N3CCNCC3CCc12
Show InChI InChI=1/C17H24N2/c1-3-13(4-1)11-14-5-2-6-17-16(14)8-7-15-12-18-9-10-19(15)17/h2,5-6,13,15,18H,1,3-4,7-12H2
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63n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2B receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM27193
PNG
((1R,2S,5S,6S,9R,12S,13R,16S)-N,N,6,7,13-pentamethy...)
Show SMILES C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23CN1C)N(C)C
Show InChI InChI=1/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16-,18-,19+,20+,21-,22-,23-,24-/s2
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66n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374106
PNG
(CHEMBL270439)
Show SMILES C(Cc1ccc(cc1)C1=CCC2CN(CC12)c1ccccc1)N1CCCC1
Show InChI InChI=1/C25H30N2/c1-2-6-23(7-3-1)27-18-22-12-13-24(25(22)19-27)21-10-8-20(9-11-21)14-17-26-15-4-5-16-26/h1-3,6-11,13,22,25H,4-5,12,14-19H2
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67n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
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