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Compile Data Set for Download or QSAR

Found 1893 hits with Last Name = 'mccorvy' and Initial = 'jd'   
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 2A


(Homo sapiens (Human))
BDBM50097691
PNG
(CHEMBL3589596)
Show SMILES COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1O
Show InChI InChI=1S/C18H22BrNO4/c1-22-15-6-4-5-13(18(15)21)11-20-8-7-12-9-17(24-3)14(19)10-16(12)23-2/h4-6,9-10,20-21H,7-8,11H2,1-3H3
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0.200n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50097677
PNG
(CHEMBL3589582)
Show SMILES COc1cc(CCNCc2cccc3CCOc23)c(OC)cc1Br
Show InChI InChI=1S/C19H22BrNO3/c1-22-17-11-16(20)18(23-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-24-19(13)15/h3-5,10-11,21H,6-9,12H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50097692
PNG
(CHEMBL3589597)
Show SMILES COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1
Show InChI InChI=1S/C18H22BrNO3/c1-21-15-6-4-5-13(9-15)12-20-8-7-14-10-18(23-3)16(19)11-17(14)22-2/h4-6,9-11,20H,7-8,12H2,1-3H3
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0.437n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50097673
PNG
(CHEMBL3589578)
Show SMILES COc1cc(CCNCc2cccc3OCOc23)c(OC)cc1Br
Show InChI InChI=1S/C18H20BrNO4/c1-21-16-9-14(19)17(22-2)8-12(16)6-7-20-10-13-4-3-5-15-18(13)24-11-23-15/h3-5,8-9,20H,6-7,10-11H2,1-2H3
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0.603n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ketanserin from human 5-HT2A receptor by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50097674
PNG
(CHEMBL3589579)
Show SMILES COc1cc(CCNCc2cccc3ccoc23)c(OC)cc1Br
Show InChI InChI=1S/C19H20BrNO3/c1-22-17-11-16(20)18(23-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-24-19(13)15/h3-5,7,9-11,21H,6,8,12H2,1-2H3
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0.603n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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0.940n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH-23390 from human dopamine D1 receptor expressed in HEK293 cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 6366-74 (2012)


Article DOI: 10.1016/j.bmc.2012.08.058
BindingDB Entry DOI: 10.7270/Q2G161X3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50518036
PNG
(CHEMBL4467777 | US11484525, Compound BD-122LS-PZM2...)
Show SMILES C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r|
Show InChI InChI=1S/C19H27N3O2S/c1-14(10-16-8-9-25-13-16)21-19(24)20-12-17(22(2)3)11-15-4-6-18(23)7-5-15/h4-9,13-14,17,23H,10-12H2,1-3H3,(H2,20,21,24)/t14-,17-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Diprenorphine from mu opioid receptor (unknown origin) expressed in sf9 insect cell membranes after 1 hr by liquid scintillation...


J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50394089
PNG
(CHEMBL2158640)
Show SMILES CCCN1C[C@@H](C[C@H]2[C@H]1CCc1cc(O)c(O)cc21)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C22H27NO3/c1-2-9-23-13-16(14-3-6-17(24)7-4-14)10-19-18-12-22(26)21(25)11-15(18)5-8-20(19)23/h3-4,6-7,11-12,16,19-20,24-26H,2,5,8-10,13H2,1H3/t16-,19-,20-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 6366-74 (2012)


Article DOI: 10.1016/j.bmc.2012.08.058
BindingDB Entry DOI: 10.7270/Q2G161X3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D2long receptor expressed in HEK293 cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 6366-74 (2012)


Article DOI: 10.1016/j.bmc.2012.08.058
BindingDB Entry DOI: 10.7270/Q2G161X3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50097693
PNG
(CHEMBL3589598)
Show SMILES COc1cc(CCNCc2cccc(O)c2)c(OC)cc1Br
Show InChI InChI=1S/C17H20BrNO3/c1-21-16-10-15(18)17(22-2)9-13(16)6-7-19-11-12-4-3-5-14(20)8-12/h3-5,8-10,19-20H,6-7,11H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50097675
PNG
(CHEMBL3589580)
Show SMILES COc1cc(CCNCc2cccc3ccsc23)c(OC)cc1Br
Show InChI InChI=1S/C19H20BrNO2S/c1-22-17-11-16(20)18(23-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-24-19(13)15/h3-5,7,9-11,21H,6,8,12H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50596945
PNG
(CHEMBL5207529)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
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2.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50097674
PNG
(CHEMBL3589579)
Show SMILES COc1cc(CCNCc2cccc3ccoc23)c(OC)cc1Br
Show InChI InChI=1S/C19H20BrNO3/c1-22-17-11-16(20)18(23-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-24-19(13)15/h3-5,7,9-11,21H,6,8,12H2,1-2H3
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2.5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50596945
PNG
(CHEMBL5207529)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
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2.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50097686
PNG
(CHEMBL3589591)
Show SMILES COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1OC
Show InChI InChI=1S/C30H31FN6O4/c1-30(28(38)37-13-15-39-16-14-37)18-40-27(41-19-30)26-35-24(21-7-9-22(31)10-8-21)25(36-26)23-11-12-32-29(34-23)33-17-20-5-3-2-4-6-20/h2-12,27H,13-19H2,1H3,(H,35,36)(H,32,33,34)/t27-,30-
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3.10n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50097690
PNG
(CHEMBL3589595)
Show SMILES COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1F
Show InChI InChI=1S/C27H33FN6O5/c1-27(25(35)34-11-14-37-15-12-34)16-38-24(39-17-27)23-32-21(18-4-6-19(28)7-5-18)22(33-23)20-8-10-30-26(31-20)29-9-3-13-36-2/h4-8,10,24H,3,9,11-17H2,1-2H3,(H,32,33)(H,29,30,31)/t24-,27-
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3.30n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50097677
PNG
(CHEMBL3589582)
Show SMILES COc1cc(CCNCc2cccc3CCOc23)c(OC)cc1Br
Show InChI InChI=1S/C19H22BrNO3/c1-22-17-11-16(20)18(23-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-24-19(13)15/h3-5,10-11,21H,6-9,12H2,1-2H3
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3.40n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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3.80n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 6366-74 (2012)


Article DOI: 10.1016/j.bmc.2012.08.058
BindingDB Entry DOI: 10.7270/Q2G161X3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50596937
PNG
(CHEMBL5204071)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
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4.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50596936
PNG
(CHEMBL5170784)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
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4.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50097692
PNG
(CHEMBL3589597)
Show SMILES COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1
Show InChI InChI=1S/C18H22BrNO3/c1-21-15-6-4-5-13(9-15)12-20-8-7-14-10-18(23-3)16(19)11-17(14)22-2/h4-6,9-11,20H,7-8,12H2,1-3H3
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4.70n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50097691
PNG
(CHEMBL3589596)
Show SMILES COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1O
Show InChI InChI=1S/C18H22BrNO4/c1-22-15-6-4-5-13(18(15)21)11-20-8-7-12-9-17(24-3)14(19)10-16(12)23-2/h4-6,9-10,20-21H,7-8,11H2,1-3H3
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6.30n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50020222
PNG
((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
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6.90n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 6366-74 (2012)


Article DOI: 10.1016/j.bmc.2012.08.058
BindingDB Entry DOI: 10.7270/Q2G161X3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50097678
PNG
(CHEMBL3589583)
Show SMILES COc1cc(CCNCc2cccc3nc[nH]c23)c(OC)cc1Br
Show InChI InChI=1S/C18H20BrN3O2/c1-23-16-9-14(19)17(24-2)8-12(16)6-7-20-10-13-4-3-5-15-18(13)22-11-21-15/h3-5,8-9,11,20H,6-7,10H2,1-2H3,(H,21,22)
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7.80n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50097675
PNG
(CHEMBL3589580)
Show SMILES COc1cc(CCNCc2cccc3ccsc23)c(OC)cc1Br
Show InChI InChI=1S/C19H20BrNO2S/c1-22-17-11-16(20)18(23-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-24-19(13)15/h3-5,7,9-11,21H,6,8,12H2,1-2H3
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7.80n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50596936
PNG
(CHEMBL5170784)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
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8n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50097678
PNG
(CHEMBL3589583)
Show SMILES COc1cc(CCNCc2cccc3nc[nH]c23)c(OC)cc1Br
Show InChI InChI=1S/C18H20BrN3O2/c1-23-16-9-14(19)17(24-2)8-12(16)6-7-20-10-13-4-3-5-15-18(13)22-11-21-15/h3-5,8-9,11,20H,6-7,10H2,1-2H3,(H,21,22)
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9.30n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50097673
PNG
(CHEMBL3589578)
Show SMILES COc1cc(CCNCc2cccc3OCOc23)c(OC)cc1Br
Show InChI InChI=1S/C18H20BrNO4/c1-21-16-9-14(19)17(22-2)8-12(16)6-7-20-10-13-4-3-5-15-18(13)24-11-23-15/h3-5,8-9,20H,6-7,10-11H2,1-2H3
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11n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-Mesulergine from rat 5-HT2C receptor by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50097676
PNG
(CHEMBL3589581)
Show SMILES COc1cc(CCNCc2cccc3ncoc23)c(OC)cc1Br
Show InChI InChI=1S/C18H19BrN2O3/c1-22-16-9-14(19)17(23-2)8-12(16)6-7-20-10-13-4-3-5-15-18(13)24-11-21-15/h3-5,8-9,11,20H,6-7,10H2,1-2H3
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11n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50097679
PNG
(CHEMBL3589584)
Show SMILES COc1cc(CCNCc2cccc3cn[nH]c23)c(OC)cc1Br
Show InChI InChI=1S/C18H20BrN3O2/c1-23-16-9-15(19)17(24-2)8-12(16)6-7-20-10-13-4-3-5-14-11-21-22-18(13)14/h3-5,8-9,11,20H,6-7,10H2,1-2H3,(H,21,22)
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12n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50097680
PNG
(CHEMBL3589585)
Show SMILES COc1cc(CCNCc2cccc3cc[nH]c23)c(OC)cc1Br
Show InChI InChI=1S/C19H21BrN2O2/c1-23-17-11-16(20)18(24-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-22-19(13)15/h3-5,7,9-11,21-22H,6,8,12H2,1-2H3
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13n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50097689
PNG
(CHEMBL3589594)
Show SMILES COc1cccc(OC)c1CNCCc1cc(OC)c(Br)cc1OC
Show InChI InChI=1S/C19H24BrNO4/c1-22-16-6-5-7-17(23-2)14(16)12-21-9-8-13-10-19(25-4)15(20)11-18(13)24-3/h5-7,10-11,21H,8-9,12H2,1-4H3
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17n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50097687
PNG
(CHEMBL3589592)
Show SMILES COc1ccc(CNCCc2cc(OC)c(Br)cc2OC)c(OC)c1
Show InChI InChI=1S/C19H24BrNO4/c1-22-15-6-5-14(17(10-15)23-2)12-21-8-7-13-9-19(25-4)16(20)11-18(13)24-3/h5-6,9-11,21H,7-8,12H2,1-4H3
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20n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50097693
PNG
(CHEMBL3589598)
Show SMILES COc1cc(CCNCc2cccc(O)c2)c(OC)cc1Br
Show InChI InChI=1S/C17H20BrNO3/c1-21-16-10-15(18)17(22-2)9-13(16)6-7-19-11-12-4-3-5-14(20)8-12/h3-5,8-10,19-20H,6-7,11H2,1-2H3
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21n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50596945
PNG
(CHEMBL5207529)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50097686
PNG
(CHEMBL3589591)
Show SMILES COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1OC
Show InChI InChI=1S/C30H31FN6O4/c1-30(28(38)37-13-15-39-16-14-37)18-40-27(41-19-30)26-35-24(21-7-9-22(31)10-8-21)25(36-26)23-11-12-32-29(34-23)33-17-20-5-3-2-4-6-20/h2-12,27H,13-19H2,1H3,(H,35,36)(H,32,33,34)/t27-,30-
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23n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50097679
PNG
(CHEMBL3589584)
Show SMILES COc1cc(CCNCc2cccc3cn[nH]c23)c(OC)cc1Br
Show InChI InChI=1S/C18H20BrN3O2/c1-23-16-9-15(19)17(24-2)8-12(16)6-7-20-10-13-4-3-5-14-11-21-22-18(13)14/h3-5,8-9,11,20H,6-7,10H2,1-2H3,(H,21,22)
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24n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50596937
PNG
(CHEMBL5204071)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
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25n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50596945
PNG
(CHEMBL5207529)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
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25n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50097687
PNG
(CHEMBL3589592)
Show SMILES COc1ccc(CNCCc2cc(OC)c(Br)cc2OC)c(OC)c1
Show InChI InChI=1S/C19H24BrNO4/c1-22-15-6-5-14(17(10-15)23-2)12-21-8-7-13-9-19(25-4)16(20)11-18(13)24-3/h5-6,9-11,21H,7-8,12H2,1-4H3
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27n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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27n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01153
BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50523439
PNG
(CHEMBL4466483)
Show SMILES FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12
Show InChI InChI=1S/C21H12F3N3OS/c22-21(23,24)16-12-14(28-20-19-13(6-8-26-20)7-11-29-19)4-5-15(16)17-2-1-3-18-25-9-10-27(17)18/h1-12H
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27n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from recombinant human D5 receptor transiently expressed in HEKT cells measured after 90 mins by microbeta scintillatio...


J Med Chem 62: 3753-3772 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00351
BindingDB Entry DOI: 10.7270/Q2445QWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50596945
PNG
(CHEMBL5207529)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
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29n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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29n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01153
BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50097688
PNG
(CHEMBL3589593)
Show SMILES COc1ccc(OC)c(CNCCc2cc(OC)c(Br)cc2OC)c1
Show InChI InChI=1S/C19H24BrNO4/c1-22-15-5-6-17(23-2)14(9-15)12-21-8-7-13-10-19(25-4)16(20)11-18(13)24-3/h5-6,9-11,21H,7-8,12H2,1-4H3
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31n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50097676
PNG
(CHEMBL3589581)
Show SMILES COc1cc(CCNCc2cccc3ncoc23)c(OC)cc1Br
Show InChI InChI=1S/C18H19BrN2O3/c1-22-16-9-14(19)17(23-2)8-12(16)6-7-20-10-13-4-3-5-15-18(13)24-11-21-15/h3-5,8-9,11,20H,6-7,10H2,1-2H3
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32n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50596936
PNG
(CHEMBL5170784)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
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32n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50596936
PNG
(CHEMBL5170784)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
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36n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50465935
PNG
(CHEMBL4277264)
Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)|
Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3
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38n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from recombinant human D5 receptor transiently expressed in HEKT cells measured after 90 mins by microbeta scintillatio...


J Med Chem 62: 3753-3772 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00351
BindingDB Entry DOI: 10.7270/Q2445QWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50596945
PNG
(CHEMBL5207529)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
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39n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
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