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Compile Data Set for Download or QSAR

Found 1598 hits with Last Name = 'hall' and Initial = 'h'   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007522
PNG
(5-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,3-dime...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1
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0.0180n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368060
PNG
(CHEMBL1907695)
Show SMILES CCCc1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O
Show InChI InChI=1S/C19H30N2O4/c1-5-8-13-11-15(24-3)18(25-4)16(17(13)22)19(23)20-12-14-9-7-10-21(14)6-2/h11,14,22H,5-10,12H2,1-4H3,(H,20,23)/t14-/m0/s1
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0.0230n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007508
PNG
((R) N-(1-Benzyl-pyrrolidin-2-ylmethyl)-5-bromo-2,3...)
Show SMILES COc1cc(Br)cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1OC
Show InChI InChI=1S/C21H25BrN2O3/c1-26-19-12-16(22)11-18(20(19)27-2)21(25)23-13-17-9-6-10-24(17)14-15-7-4-3-5-8-15/h3-5,7-8,11-12,17H,6,9-10,13-14H2,1-2H3,(H,23,25)/t17-/m1/s1
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0.0240n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368067
PNG
(CHEMBL1907702)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(OC)c1OC
Show InChI InChI=1S/C18H28N2O4/c1-5-12-10-14(23-3)17(24-4)15(16(12)21)18(22)19-11-13-8-7-9-20(13)6-2/h10,13,21H,5-9,11H2,1-4H3,(H,19,22)/t13-/m0/s1
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0.0330n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50184183
PNG
(3,3'-difluoro-4'-{[5-(4-pyridin-4-yl-piperazine-1-...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC2)c2ccncc2)c(F)c1
Show InChI InChI=1S/C30H27F2N5O3/c1-40-30(39)28-24(3-2-4-25(28)31)20-5-6-21(26(32)17-20)18-34-27-8-7-22(19-35-27)29(38)37-15-13-36(14-16-37)23-9-11-33-12-10-23/h2-12,17,19H,13-16,18H2,1H3,(H,34,35)
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0.0450n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 4283-311 (2011)


Article DOI: 10.1021/jm200371q
BindingDB Entry DOI: 10.7270/Q23N23RZ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007517
PNG
((S)-3-bromo-N-((1-ethylpyrrolidin-2-yl)methyl)-2-h...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC
Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
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0.0640n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007517
PNG
((S)-3-bromo-N-((1-ethylpyrrolidin-2-yl)methyl)-2-h...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC
Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
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0.0640n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368065
PNG
(CHEMBL1907692)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(OC)c1OC
Show InChI InChI=1S/C16H23ClN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
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0.0870n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007518
PNG
((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413086
PNG
(CHEMBL484260)
Show SMILES Cc1cc(N2CCN(CCc3ccc4OCC(=O)Nc4c3)CC2)c2ccc(C)nc2c1
Show InChI InChI=1S/C25H28N4O2/c1-17-13-21-20(5-3-18(2)26-21)23(14-17)29-11-9-28(10-12-29)8-7-19-4-6-24-22(15-19)27-25(30)16-31-24/h3-6,13-15H,7-12,16H2,1-2H3,(H,27,30)
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0.126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007509
PNG
(3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C16H22Cl2N2O3/c1-4-20-7-5-6-10(20)9-19-16(21)13-14(22-2)11(17)8-12(18)15(13)23-3/h8,10H,4-7,9H2,1-3H3,(H,19,21)/t10-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50413083
PNG
(CHEMBL484059)
Show SMILES O=C1COc2ccc(CCN3CCN(CC3)c3cccc4nc(ccc34)-c3ccccc3)cc2N1
Show InChI InChI=1S/C29H28N4O2/c34-29-20-35-28-12-9-21(19-26(28)31-29)13-14-32-15-17-33(18-16-32)27-8-4-7-25-23(27)10-11-24(30-25)22-5-2-1-3-6-22/h1-12,19H,13-18,20H2,(H,31,34)
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0.158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SerT expressed pig LLCPK cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413084
PNG
(CHEMBL521506)
Show SMILES Cc1ccc2c(cc(Cl)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H25ClN4O2/c1-16-2-4-19-20(26-16)13-18(25)14-22(19)29-10-8-28(9-11-29)7-6-17-3-5-23-21(12-17)27-24(30)15-31-23/h2-5,12-14H,6-11,15H2,1H3,(H,27,30)
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0.158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412441
PNG
(CHEMBL490417 | SB-744185)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29)
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0.158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413078
PNG
(CHEMBL491839)
Show SMILES CC1(C)Cc2cccc(N3CCN(CCc4ccc5OCC(=O)Nc5c4)CC3)c2O1
Show InChI InChI=1S/C24H29N3O3/c1-24(2)15-18-4-3-5-20(23(18)30-24)27-12-10-26(11-13-27)9-8-17-6-7-21-19(14-17)25-22(28)16-29-21/h3-7,14H,8-13,15-16H2,1-2H3,(H,25,28)
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0.158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50382491
PNG
(CHEMBL2024114)
Show SMILES Nc1nnc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C15H11ClN4O/c16-11-8-10(6-7-12(11)21)14-13(18-15(17)20-19-14)9-4-2-1-3-5-9/h1-8,21H,(H2,17,18,20)
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0.162n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 55: 1898-903 (2012)


Article DOI: 10.1021/jm201376w
BindingDB Entry DOI: 10.7270/Q2S46SZG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50307815
PNG
(4-Hydroxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyc...)
Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2cccc(O)c12
Show InChI InChI=1S/C18H24N4O2/c1-21-12-5-3-6-13(21)10-11(9-12)19-18(24)17-16-14(22(2)20-17)7-4-8-15(16)23/h4,7-8,11-13,23H,3,5-6,9-10H2,1-2H3,(H,19,24)/t12-,13-/m0/s1
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0.170n/an/an/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 53: 2324-8 (2010)


Article DOI: 10.1021/jm901827x
BindingDB Entry DOI: 10.7270/Q2JQ11Z5
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007510
PNG
((R) 3-Bromo-N-[1-(4-fluoro-benzyl)-pyrrolidin-2-yl...)
Show SMILES COc1cc(Br)c(O)c(C(=O)NC[C@H]2CCCN2Cc2ccc(F)cc2)c1OC
Show InChI InChI=1S/C21H24BrFN2O4/c1-28-17-10-16(22)19(26)18(20(17)29-2)21(27)24-11-15-4-3-9-25(15)12-13-5-7-14(23)8-6-13/h5-8,10,15,26H,3-4,9,11-12H2,1-2H3,(H,24,27)/t15-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was determined in vitro


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50412441
PNG
(CHEMBL490417 | SB-744185)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29)
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413075
PNG
(CHEMBL489394)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cc(F)c3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-16-5-6-18-20(26-16)3-2-4-22(18)29-11-9-28(10-12-29)8-7-17-13-19(25)24-21(14-17)27-23(30)15-31-24/h2-6,13-14H,7-12,15H2,1H3,(H,27,30)
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413087
PNG
(CHEMBL497980)
Show SMILES Cc1ccc2c(ccc(Cl)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H25ClN4O2/c1-16-2-4-18-21(6-5-19(25)24(18)26-16)29-12-10-28(11-13-29)9-8-17-3-7-22-20(14-17)27-23(30)15-31-22/h2-7,14H,8-13,15H2,1H3,(H,27,30)
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413085
PNG
(CHEMBL485491)
Show SMILES Cc1ccc2c(cc(F)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-16-2-4-19-20(26-16)13-18(25)14-22(19)29-10-8-28(9-11-29)7-6-17-3-5-23-21(12-17)27-24(30)15-31-23/h2-5,12-14H,6-11,15H2,1H3,(H,27,30)
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413079
PNG
(CHEMBL444398)
Show SMILES Cc1cc2c(cccc2[nH]1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H26N4O2/c1-16-13-18-19(24-16)3-2-4-21(18)27-11-9-26(10-12-27)8-7-17-5-6-22-20(14-17)25-23(28)15-29-22/h2-6,13-14,24H,7-12,15H2,1H3,(H,25,28)
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50307826
PNG
(1-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]n...)
Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2c(OCc3ccccc3)cccc12
Show InChI InChI=1S/C25H30N4O2/c1-28-19-10-6-11-20(28)15-18(14-19)26-25(30)23-21-12-7-13-22(24(21)29(2)27-23)31-16-17-8-4-3-5-9-17/h3-5,7-9,12-13,18-20H,6,10-11,14-16H2,1-2H3,(H,26,30)/t19-,20-/m0/s1
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0.230n/an/an/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 53: 2324-8 (2010)


Article DOI: 10.1021/jm901827x
BindingDB Entry DOI: 10.7270/Q2JQ11Z5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413068
PNG
(CHEMBL497979)
Show SMILES Cc1ccc2c(ccc(F)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-16-2-4-18-21(6-5-19(25)24(18)26-16)29-12-10-28(11-13-29)9-8-17-3-7-22-20(14-17)27-23(30)15-31-22/h2-7,14H,8-13,15H2,1H3,(H,27,30)
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413073
PNG
(CHEMBL496520)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2F)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-16-5-7-18-19(26-16)3-2-4-20(18)29-13-11-28(12-14-29)10-9-17-6-8-21-24(23(17)25)27-22(30)15-31-21/h2-8H,9-15H2,1H3,(H,27,30)
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413074
PNG
(CHEMBL496317)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cc3NC(=O)COc3cc2F)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-16-5-6-18-20(26-16)3-2-4-22(18)29-11-9-28(10-12-29)8-7-17-13-21-23(14-19(17)25)31-15-24(30)27-21/h2-6,13-14H,7-12,15H2,1H3,(H,27,30)
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413074
PNG
(CHEMBL496317)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cc3NC(=O)COc3cc2F)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-16-5-6-18-20(26-16)3-2-4-22(18)29-11-9-28(10-12-29)8-7-17-13-21-23(14-19(17)25)31-15-24(30)27-21/h2-6,13-14H,7-12,15H2,1H3,(H,27,30)
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413081
PNG
(CHEMBL523095)
Show SMILES O=C1COc2ccc(CCN3CCN(CC3)c3cccc4cccnc34)cc2N1
Show InChI InChI=1S/C23H24N4O2/c28-22-16-29-21-7-6-17(15-19(21)25-22)8-10-26-11-13-27(14-12-26)20-5-1-3-18-4-2-9-24-23(18)20/h1-7,9,15H,8,10-14,16H2,(H,25,28)
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413082
PNG
(CHEMBL490211)
Show SMILES O=C1COc2ccc(CCN3CCN(CC3)c3nccc4ccccc34)cc2N1
Show InChI InChI=1S/C23H24N4O2/c28-22-16-29-21-6-5-17(15-20(21)25-22)8-10-26-11-13-27(14-12-26)23-19-4-2-1-3-18(19)7-9-24-23/h1-7,9,15H,8,10-14,16H2,(H,25,28)
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412441
PNG
(CHEMBL490417 | SB-744185)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29)
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50274013
PNG
(1-(4-benzhydrylpiperazin-1-yl)-3-(3-methyl-1H-indo...)
Show SMILES Cc1c[nH]c2cccc(OCC(O)CN3CCN(CC3)C(c3ccccc3)c3ccccc3)c12
Show InChI InChI=1S/C29H33N3O2/c1-22-19-30-26-13-8-14-27(28(22)26)34-21-25(33)20-31-15-17-32(18-16-31)29(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-14,19,25,29-30,33H,15-18,20-21H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

Curated by ChEMBL


Assay Description
Displacement of radioligand from human adrenergic beta2 receptor


J Med Chem 54: 4283-311 (2011)


Article DOI: 10.1021/jm200371q
BindingDB Entry DOI: 10.7270/Q23N23RZ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007518
PNG
((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Astra Läkemedel AB

Curated by PDSP Ki Database




Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986)


BindingDB Entry DOI: 10.7270/Q2PG1Q7V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413080
PNG
(CHEMBL489195)
Show SMILES Cc1ncc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H25N5O2/c1-16-24-14-18-19(25-16)3-2-4-21(18)28-11-9-27(10-12-28)8-7-17-5-6-22-20(13-17)26-23(29)15-30-22/h2-6,13-14H,7-12,15H2,1H3,(H,26,29)
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413070
PNG
(CHEMBL495705)
Show SMILES CC1CN(CCc2ccc3OCC(=O)Nc3c2)CCN1c1cccc2nc(C)ccc12
Show InChI InChI=1S/C25H28N4O2/c1-17-6-8-20-21(26-17)4-3-5-23(20)29-13-12-28(15-18(29)2)11-10-19-7-9-24-22(14-19)27-25(30)16-31-24/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,27,30)
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50413083
PNG
(CHEMBL484059)
Show SMILES O=C1COc2ccc(CCN3CCN(CC3)c3cccc4nc(ccc34)-c3ccccc3)cc2N1
Show InChI InChI=1S/C29H28N4O2/c34-29-20-35-28-12-9-21(19-26(28)31-29)13-14-32-15-17-33(18-16-32)27-8-4-7-25-23(27)10-11-24(30-25)22-5-2-1-3-6-22/h1-12,19H,13-18,20H2,(H,31,34)
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413068
PNG
(CHEMBL497979)
Show SMILES Cc1ccc2c(ccc(F)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-16-2-4-18-21(6-5-19(25)24(18)26-16)29-12-10-28(11-13-29)9-8-17-3-7-22-20(14-17)27-23(30)15-31-22/h2-7,14H,8-13,15H2,1H3,(H,27,30)
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413084
PNG
(CHEMBL521506)
Show SMILES Cc1ccc2c(cc(Cl)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H25ClN4O2/c1-16-2-4-19-20(26-16)13-18(25)14-22(19)29-10-8-28(9-11-29)7-6-17-3-5-23-21(12-17)27-24(30)15-31-23/h2-5,12-14H,6-11,15H2,1H3,(H,27,30)
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413077
PNG
(CHEMBL522257)
Show SMILES CN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12
Show InChI InChI=1S/C25H28N4O2/c1-18-6-8-20-21(26-18)4-3-5-22(20)29-14-12-28(13-15-29)11-10-19-7-9-24-23(16-19)27(2)25(30)17-31-24/h3-9,16H,10-15,17H2,1-2H3
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.330n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413076
PNG
(CHEMBL489393)
Show SMILES CCN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12
Show InChI InChI=1S/C26H30N4O2/c1-3-30-24-17-20(8-10-25(24)32-18-26(30)31)11-12-28-13-15-29(16-14-28)23-6-4-5-22-21(23)9-7-19(2)27-22/h4-10,17H,3,11-16,18H2,1-2H3
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0.398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50413079
PNG
(CHEMBL444398)
Show SMILES Cc1cc2c(cccc2[nH]1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H26N4O2/c1-16-13-18-19(24-16)3-2-4-21(18)27-11-9-26(10-12-27)8-7-17-5-6-22-20(14-17)25-23(28)15-29-22/h2-6,13-14,24H,7-12,15H2,1H3,(H,25,28)
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0.398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50413073
PNG
(CHEMBL496520)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2F)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-16-5-7-18-19(26-16)3-2-4-20(18)29-13-11-28(12-14-29)10-9-17-6-8-21-24(23(17)25)27-22(30)15-31-21/h2-8H,9-15H2,1H3,(H,27,30)
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0.398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413073
PNG
(CHEMBL496520)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2F)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-16-5-7-18-19(26-16)3-2-4-20(18)29-13-11-28(12-14-29)10-9-17-6-8-21-24(23(17)25)27-22(30)15-31-21/h2-8H,9-15H2,1H3,(H,27,30)
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0.398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413077
PNG
(CHEMBL522257)
Show SMILES CN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12
Show InChI InChI=1S/C25H28N4O2/c1-18-6-8-20-21(26-18)4-3-5-22(20)29-14-12-28(13-15-29)11-10-19-7-9-24-23(16-19)27(2)25(30)17-31-24/h3-9,16H,10-15,17H2,1-2H3
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0.398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50413072
PNG
(CHEMBL495703)
Show SMILES C[C@H]1CN(CCN1CCc1ccc2OCC(=O)Nc2c1)c1cccc2nc(C)ccc12
Show InChI InChI=1S/C25H28N4O2/c1-17-6-8-20-21(26-17)4-3-5-23(20)29-13-12-28(18(2)15-29)11-10-19-7-9-24-22(14-19)27-25(30)16-31-24/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,27,30)/t18-/m0/s1
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0.398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SerT expressed pig LLCPK cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413086
PNG
(CHEMBL484260)
Show SMILES Cc1cc(N2CCN(CCc3ccc4OCC(=O)Nc4c3)CC2)c2ccc(C)nc2c1
Show InChI InChI=1S/C25H28N4O2/c1-17-13-21-20(5-3-18(2)26-21)23(14-17)29-11-9-28(10-12-29)8-7-19-4-6-24-22(15-19)27-25(30)16-31-24/h3-6,13-15H,7-12,16H2,1-2H3,(H,27,30)
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0.398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413080
PNG
(CHEMBL489195)
Show SMILES Cc1ncc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H25N5O2/c1-16-24-14-18-19(25-16)3-2-4-21(18)28-11-9-27(10-12-28)8-7-17-5-6-22-20(13-17)26-23(29)15-30-22/h2-6,13-14H,7-12,15H2,1H3,(H,26,29)
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0.398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007524
PNG
((R) 3-Bromo-N-[1-(4-fluoro-benzyl)-pyrrolidin-2-yl...)
Show SMILES COc1ccc(Br)c(O)c1C(=O)NC[C@H]1CCCN1Cc1ccc(F)cc1
Show InChI InChI=1S/C20H22BrFN2O3/c1-27-17-9-8-16(21)19(25)18(17)20(26)23-11-15-3-2-10-24(15)12-13-4-6-14(22)7-5-13/h4-9,15,25H,2-3,10-12H2,1H3,(H,23,26)/t15-/m1/s1
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0.430n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was determined in vitro


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50413084
PNG
(CHEMBL521506)
Show SMILES Cc1ccc2c(cc(Cl)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H25ClN4O2/c1-16-2-4-19-20(26-16)13-18(25)14-22(19)29-10-8-28(9-11-29)7-6-17-3-5-23-21(12-17)27-24(30)15-31-23/h2-5,12-14H,6-11,15H2,1H3,(H,27,30)
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
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