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Compile Data Set for Download or QSAR

Found 471 hits with Last Name = 'case' and Initial = 'a'   
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
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50367249
PNG
(CHEMBL309601)
Show SMILES C[C@H](NP(O)(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C16H23N2O5P/c1-12(15(19)18-10-5-8-14(18)16(20)21)17-24(22,23)11-9-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,20,21)(H2,17,22,23)/t12-,14-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Angiotensin I converting enzyme


J Med Chem 28: 393-9 (1985)


BindingDB Entry DOI: 10.7270/Q28W3DWT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50541118
PNG
(CHEMBL4637900)
Show SMILES CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccccc1Cl |r|
Show InChI InChI=1S/C22H28ClN/c1-3-14-24(15-4-2)18-12-13-19-17(16-18)8-7-10-20(19)21-9-5-6-11-22(21)23/h5-11,18H,3-4,12-16H2,1-2H3/t18-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50541149
PNG
(CHEMBL4647808)
Show SMILES CN(C)[C@H]1CCc2c(C1)cccc2-c1ccccc1Cl |r|
Show InChI InChI=1S/C18H20ClN/c1-20(2)14-10-11-15-13(12-14)6-5-8-16(15)17-7-3-4-9-18(17)19/h3-9,14H,10-12H2,1-2H3/t14-/m0/s1
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1n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50541140
PNG
(CHEMBL4641769)
Show SMILES Fc1ccccc1-c1cccc2CC(CCc12)N1CCCC1
Show InChI InChI=1S/C20H22FN/c21-20-9-2-1-7-19(20)18-8-5-6-15-14-16(10-11-17(15)18)22-12-3-4-13-22/h1-2,5-9,16H,3-4,10-14H2
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1.30n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50020843
PNG
(2-[(2S)-2-carboxypyrrolidin-1-yl]-1-methyl-2-oxoet...)
Show SMILES C[C@@H](NP([O-])([O-])=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C8H15N2O6P/c1-5(9-17(14,15)16)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4H2,1H3,(H,12,13)(H3,9,14,15,16)/p-2/t5?,6-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Angiotensin I converting enzyme


J Med Chem 28: 393-9 (1985)


BindingDB Entry DOI: 10.7270/Q28W3DWT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50541117
PNG
(CHEMBL4639661)
Show SMILES CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccccc1F |r|
Show InChI InChI=1S/C22H28FN/c1-3-14-24(15-4-2)18-12-13-19-17(16-18)8-7-10-20(19)21-9-5-6-11-22(21)23/h5-11,18H,3-4,12-16H2,1-2H3/t18-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50541150
PNG
(CHEMBL4639638)
Show SMILES CN(C)[C@H]1CCc2c(C1)cccc2-c1ccccc1F |r|
Show InChI InChI=1S/C18H20FN/c1-20(2)14-10-11-15-13(12-14)6-5-8-16(15)17-7-3-4-9-18(17)19/h3-9,14H,10-12H2,1-2H3/t14-/m0/s1
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4n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50541138
PNG
(CHEMBL4641654)
Show SMILES CN(C)C1CCc2c(C1)cccc2-c1ccccc1Cl
Show InChI InChI=1S/C18H20ClN/c1-20(2)14-10-11-15-13(12-14)6-5-8-16(15)17-7-3-4-9-18(17)19/h3-9,14H,10-12H2,1-2H3
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4.20n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50541119
PNG
(CHEMBL4649289)
Show SMILES CN(C)[C@H]1CCc2c(C1)cccc2-c1cccs1 |r|
Show InChI InChI=1S/C16H19NS/c1-17(2)13-8-9-14-12(11-13)5-3-6-15(14)16-7-4-10-18-16/h3-7,10,13H,8-9,11H2,1-2H3/t13-/m0/s1
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4.5n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50474418
PNG
(CHEMBL611472)
Show SMILES CN(C)[C@H]1CCc2c(C1)cccc2-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C22H23N/c1-23(2)18-13-14-20-17(15-18)9-6-12-22(20)21-11-5-8-16-7-3-4-10-19(16)21/h3-12,18H,13-15H2,1-2H3/t18-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50541150
PNG
(CHEMBL4639638)
Show SMILES CN(C)[C@H]1CCc2c(C1)cccc2-c1ccccc1F |r|
Show InChI InChI=1S/C18H20FN/c1-20(2)14-10-11-15-13(12-14)6-5-8-16(15)17-7-3-4-9-18(17)19/h3-9,14H,10-12H2,1-2H3/t14-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50541117
PNG
(CHEMBL4639661)
Show SMILES CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccccc1F |r|
Show InChI InChI=1S/C22H28FN/c1-3-14-24(15-4-2)18-12-13-19-17(16-18)8-7-10-20(19)21-9-5-6-11-22(21)23/h5-11,18H,3-4,12-16H2,1-2H3/t18-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50150685
PNG
(((S)-5-Phenyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccccc1
Show InChI InChI=1S/C22H29N/c1-3-15-23(16-4-2)20-13-14-22-19(17-20)11-8-12-21(22)18-9-6-5-7-10-18/h5-12,20H,3-4,13-17H2,1-2H3/t20-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50541118
PNG
(CHEMBL4637900)
Show SMILES CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccccc1Cl |r|
Show InChI InChI=1S/C22H28ClN/c1-3-14-24(15-4-2)18-12-13-19-17(16-18)8-7-10-20(19)21-9-5-6-11-22(21)23/h5-11,18H,3-4,12-16H2,1-2H3/t18-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50541139
PNG
(CHEMBL4648289)
Show SMILES CN(C)[C@H]1CCc2c(C1)cccc2-c1ccccc1 |r|
Show InChI InChI=1S/C18H21N/c1-19(2)16-11-12-18-15(13-16)9-6-10-17(18)14-7-4-3-5-8-14/h3-10,16H,11-13H2,1-2H3/t16-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50016777
PNG
(((R)-8-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m1/s1
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7.10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50541149
PNG
(CHEMBL4647808)
Show SMILES CN(C)[C@H]1CCc2c(C1)cccc2-c1ccccc1Cl |r|
Show InChI InChI=1S/C18H20ClN/c1-20(2)14-10-11-15-13(12-14)6-5-8-16(15)17-7-3-4-9-18(17)19/h3-9,14H,10-12H2,1-2H3/t14-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50011247
PNG
(7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol...)
Show SMILES CCCN(CCC)[C@H]1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
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7.60n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50541139
PNG
(CHEMBL4648289)
Show SMILES CN(C)[C@H]1CCc2c(C1)cccc2-c1ccccc1 |r|
Show InChI InChI=1S/C18H21N/c1-19(2)16-11-12-18-15(13-16)9-6-10-17(18)14-7-4-3-5-8-14/h3-10,16H,11-13H2,1-2H3/t16-/m0/s1
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9.5n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50004891
PNG
(CHEMBL2164327)
Show SMILES CN(C)[C@H]1CCc2c(C1)cccc2-c1c(C)nn(C)c1C |r,wD:3.2,(25.25,-11.88,;25.26,-10.34,;26.59,-9.58,;23.93,-9.57,;23.93,-8.02,;22.58,-7.23,;21.24,-8.01,;21.24,-9.57,;22.58,-10.34,;19.91,-10.33,;18.58,-9.56,;18.58,-8.02,;19.91,-7.25,;19.9,-5.71,;21.14,-4.8,;22.6,-5.28,;20.66,-3.34,;19.12,-3.35,;18.21,-2.1,;18.65,-4.81,;17.18,-5.29,)|
Show InChI InChI=1S/C18H25N3/c1-12-18(13(2)21(5)19-12)17-8-6-7-14-11-15(20(3)4)9-10-16(14)17/h6-8,15H,9-11H2,1-5H3/t15-/m0/s1
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12n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50541138
PNG
(CHEMBL4641654)
Show SMILES CN(C)C1CCc2c(C1)cccc2-c1ccccc1Cl
Show InChI InChI=1S/C18H20ClN/c1-20(2)14-10-11-15-13(12-14)6-5-8-16(15)17-7-3-4-9-18(17)19/h3-9,14H,10-12H2,1-2H3
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14n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50541135
PNG
(CHEMBL4634558)
Show SMILES CN(C)C1CCc2c(C1)cccc2-c1ccc(F)cc1Cl
Show InChI InChI=1S/C18H19ClFN/c1-21(2)14-7-9-15-12(10-14)4-3-5-16(15)17-8-6-13(20)11-18(17)19/h3-6,8,11,14H,7,9-10H2,1-2H3
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16n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50541119
PNG
(CHEMBL4649289)
Show SMILES CN(C)[C@H]1CCc2c(C1)cccc2-c1cccs1 |r|
Show InChI InChI=1S/C16H19NS/c1-17(2)13-8-9-14-12(11-13)5-3-6-15(14)16-7-4-10-18-16/h3-7,10,13H,8-9,11H2,1-2H3/t13-/m0/s1
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17n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50541137
PNG
(CHEMBL4647335)
Show SMILES CN(C)C1CCc2c(C1)cccc2-c1cccc(F)c1
Show InChI InChI=1S/C18H20FN/c1-20(2)16-9-10-18-14(12-16)6-4-8-17(18)13-5-3-7-15(19)11-13/h3-8,11,16H,9-10,12H2,1-2H3
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18n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50541126
PNG
(CHEMBL4636210)
Show SMILES CN(C)[C@@H]1CCc2c(C1)cccc2-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H20ClN/c1-20(2)16-10-11-18-14(12-16)4-3-5-17(18)13-6-8-15(19)9-7-13/h3-9,16H,10-12H2,1-2H3/t16-/m1/s1
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19n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50541123
PNG
(CHEMBL4633326)
Show SMILES CN(C)C1CCc2c(C1)cccc2-c1cccc2ccccc12
Show InChI InChI=1S/C22H23N/c1-23(2)18-13-14-20-17(15-18)9-6-12-22(20)21-11-5-8-16-7-3-4-10-19(16)21/h3-12,18H,13-15H2,1-2H3
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22n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50541137
PNG
(CHEMBL4647335)
Show SMILES CN(C)C1CCc2c(C1)cccc2-c1cccc(F)c1
Show InChI InChI=1S/C18H20FN/c1-20(2)16-9-10-18-14(12-16)6-4-8-17(18)13-5-3-7-15(19)11-13/h3-8,11,16H,9-10,12H2,1-2H3
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23n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50541121
PNG
(CHEMBL4646587)
Show SMILES CN(C)[C@H]1CCc2c(C1)cccc2-c1cccn1C |r|
Show InChI InChI=1S/C17H22N2/c1-18(2)14-9-10-15-13(12-14)6-4-7-16(15)17-8-5-11-19(17)3/h4-8,11,14H,9-10,12H2,1-3H3/t14-/m0/s1
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24n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50541148
PNG
(CHEMBL4646015)
Show SMILES CN(C)C1CCc2c(C1)cccc2-c1cccc(Cl)c1
Show InChI InChI=1S/C18H20ClN/c1-20(2)16-9-10-18-14(12-16)6-4-8-17(18)13-5-3-7-15(19)11-13/h3-8,11,16H,9-10,12H2,1-2H3
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26n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50541127
PNG
(CHEMBL4644005)
Show SMILES COc1cccc(c1)-c1cccc2CC(CCc12)N(C)C
Show InChI InChI=1S/C19H23NO/c1-20(2)16-10-11-19-14(12-16)7-5-9-18(19)15-6-4-8-17(13-15)21-3/h4-9,13,16H,10-12H2,1-3H3
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28n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50541147
PNG
(CHEMBL4649308)
Show SMILES CN(C)C1CCc2c(C1)cccc2-c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN/c1-20(2)16-10-11-18-14(12-16)4-3-5-17(18)13-6-8-15(19)9-7-13/h3-9,16H,10-12H2,1-2H3
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30n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50541135
PNG
(CHEMBL4634558)
Show SMILES CN(C)C1CCc2c(C1)cccc2-c1ccc(F)cc1Cl
Show InChI InChI=1S/C18H19ClFN/c1-21(2)14-7-9-15-12(10-14)4-3-5-16(15)17-8-6-13(20)11-18(17)19/h3-6,8,11,14H,7,9-10H2,1-2H3
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33n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50541121
PNG
(CHEMBL4646587)
Show SMILES CN(C)[C@H]1CCc2c(C1)cccc2-c1cccn1C |r|
Show InChI InChI=1S/C17H22N2/c1-18(2)14-9-10-15-13(12-14)6-4-7-16(15)17-8-5-11-19(17)3/h4-8,11,14H,9-10,12H2,1-3H3/t14-/m0/s1
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33n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50541120
PNG
(CHEMBL4635538)
Show SMILES CN(C)[C@H]1CCc2c(C1)cccc2-c1ccco1 |r|
Show InChI InChI=1S/C16H19NO/c1-17(2)13-8-9-14-12(11-13)5-3-6-15(14)16-7-4-10-18-16/h3-7,10,13H,8-9,11H2,1-2H3/t13-/m0/s1
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33n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50150685
PNG
(((S)-5-Phenyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccccc1
Show InChI InChI=1S/C22H29N/c1-3-15-23(16-4-2)20-13-14-22-19(17-20)11-8-12-21(22)18-9-6-5-7-10-18/h5-12,20H,3-4,13-17H2,1-2H3/t20-/m0/s1
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34n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50016777
PNG
(((R)-8-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m1/s1
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48n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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50n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50541140
PNG
(CHEMBL4641769)
Show SMILES Fc1ccccc1-c1cccc2CC(CCc12)N1CCCC1
Show InChI InChI=1S/C20H22FN/c21-20-9-2-1-7-19(20)18-8-5-6-15-14-16(10-11-17(15)18)22-12-3-4-13-22/h1-2,5-9,16H,3-4,10-14H2
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51n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113742
PNG
(N-[4-(2-Hydrazinylethyl)phenyl]-4-phenylbutanamide...)
Show SMILES NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1
Show InChI InChI=1S/C18H23N3O/c19-20-14-13-16-9-11-17(12-10-16)21-18(22)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,20H,4,7-8,13-14,19H2,(H,21,22)
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59n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50541136
PNG
(CHEMBL4644725)
Show SMILES CN(C)C1CCc2c(C1)cccc2-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H20F3N/c1-23(2)16-9-10-18-14(12-16)6-4-8-17(18)13-5-3-7-15(11-13)19(20,21)22/h3-8,11,16H,9-10,12H2,1-2H3
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63n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50474418
PNG
(CHEMBL611472)
Show SMILES CN(C)[C@H]1CCc2c(C1)cccc2-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C22H23N/c1-23(2)18-13-14-20-17(15-18)9-6-12-22(20)21-11-5-8-16-7-3-4-10-19(16)21/h3-12,18H,13-15H2,1-2H3/t18-/m0/s1
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64n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50541120
PNG
(CHEMBL4635538)
Show SMILES CN(C)[C@H]1CCc2c(C1)cccc2-c1ccco1 |r|
Show InChI InChI=1S/C16H19NO/c1-17(2)13-8-9-14-12(11-13)5-3-6-15(14)16-7-4-10-18-16/h3-7,10,13H,8-9,11H2,1-2H3/t13-/m0/s1
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71n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50541127
PNG
(CHEMBL4644005)
Show SMILES COc1cccc(c1)-c1cccc2CC(CCc12)N(C)C
Show InChI InChI=1S/C19H23NO/c1-20(2)16-10-11-19-14(12-16)7-5-9-18(19)15-6-4-8-17(13-15)21-3/h4-9,13,16H,10-12H2,1-3H3
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73n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50541148
PNG
(CHEMBL4646015)
Show SMILES CN(C)C1CCc2c(C1)cccc2-c1cccc(Cl)c1
Show InChI InChI=1S/C18H20ClN/c1-20(2)16-9-10-18-14(12-16)6-4-8-17(18)13-5-3-7-15(19)11-13/h3-8,11,16H,9-10,12H2,1-2H3
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82n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50541126
PNG
(CHEMBL4636210)
Show SMILES CN(C)[C@@H]1CCc2c(C1)cccc2-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H20ClN/c1-20(2)16-10-11-18-14(12-16)4-3-5-17(18)13-6-8-15(19)9-7-13/h3-9,16H,10-12H2,1-2H3/t16-/m1/s1
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84n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50541130
PNG
(CHEMBL4649327)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(C1)cccc2-c1ccccc1F |r|
Show InChI InChI=1S/C22H28FN/c1-3-14-24(15-4-2)18-12-13-19-17(16-18)8-7-10-20(19)21-9-5-6-11-22(21)23/h5-11,18H,3-4,12-16H2,1-2H3/t18-/m1/s1
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92n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50541134
PNG
(CHEMBL4643725)
Show SMILES CN(C)C1CCc2c(C1)cccc2-c1cncc2ccccc12
Show InChI InChI=1S/C21H22N2/c1-23(2)17-10-11-19-15(12-17)7-5-9-20(19)21-14-22-13-16-6-3-4-8-18(16)21/h3-9,13-14,17H,10-12H2,1-2H3
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97n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50541122
PNG
(CHEMBL4648489)
Show SMILES CN(C)C1CCc2c(C1)cccc2C1CCCC1
Show InChI InChI=1S/C17H25N/c1-18(2)15-10-11-17-14(12-15)8-5-9-16(17)13-6-3-4-7-13/h5,8-9,13,15H,3-4,6-7,10-12H2,1-2H3
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98n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113753
PNG
(N-[4-(2-Hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)b...)
Show SMILES NNCCc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C20H24N4O/c21-23-13-12-15-8-10-17(11-9-15)24-20(25)7-3-4-16-14-22-19-6-2-1-5-18(16)19/h1-2,5-6,8-11,14,22-23H,3-4,7,12-13,21H2,(H,24,25)
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100n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113750
PNG
((2E)-N-[4-(2-Hydrazinylethyl)phenyl]-3-phenylprop-...)
Show SMILES NNCCc1ccc(NC(=O)\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C17H19N3O/c18-19-13-12-15-6-9-16(10-7-15)20-17(21)11-8-14-4-2-1-3-5-14/h1-11,19H,12-13,18H2,(H,20,21)/b11-8+
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100n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
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