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30 molecules are shown

Compile data set for download or QSAR
Wt: 566.9
BDBM50145663
Wt: 551.9
BDBM50145668
Wt: 494.8
BDBM50145669
Wt: 415.3
BDBM50145677
Wt: 324.4
BDBM50145620
Wt: 358.8
BDBM50145607
Wt: 325.4
BDBM50145611
Wt: 326.3
BDBM50145612
Wt: 486.9
BDBM50145616
Wt: 272.3
BDBM50145631
Wt: 354.4
BDBM50145618
Wt: 335.4
BDBM50145619
Wt: 338.4
BDBM50145621
Wt: 344.8
BDBM50145623
Wt: 379.2
BDBM50145626
<<  First   |  Previous   |  Displayed 16 to 30 (of 30 total )

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 50145663,50145668,50145669,50145677,50145620,50145607,50145611,50145612,50145616,50145631,50145618,50145619,50145621,50145623,50145626   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145612
PNG
(CHEMBL3764177)
Show SMILES O=C(NCCCN1CCN(CC1)c1ncccn1)c1ccncc1
Show InChI InChI=1S/C17H22N6O/c24-16(15-3-8-18-9-4-15)19-7-2-10-22-11-13-23(14-12-22)17-20-5-1-6-21-17/h1,3-6,8-9H,2,7,10-14H2,(H,19,24)
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0.00985n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50145616
PNG
(CHEMBL3763331)
Show SMILES Cl.Fc1ccc(cc1)C(N1CCN(CCCNC(=O)c2ccncc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H28F2N4O.ClH/c27-23-6-2-20(3-7-23)25(21-4-8-24(28)9-5-21)32-18-16-31(17-19-32)15-1-12-30-26(33)22-10-13-29-14-11-22;/h2-11,13-14,25H,1,12,15-19H2,(H,30,33);1H
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0.0983n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat striatum incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145616
PNG
(CHEMBL3763331)
Show SMILES Cl.Fc1ccc(cc1)C(N1CCN(CCCNC(=O)c2ccncc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H28F2N4O.ClH/c27-23-6-2-20(3-7-23)25(21-4-8-24(28)9-5-21)32-18-16-31(17-19-32)15-1-12-30-26(33)22-10-13-29-14-11-22;/h2-11,13-14,25H,1,12,15-19H2,(H,30,33);1H
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0.130n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50145621
PNG
(CHEMBL3763242)
Show SMILES Cc1cccc(N2CCN(CCNC(=O)c3ccncc3)CC2)c1C
Show InChI InChI=1S/C20H26N4O/c1-16-4-3-5-19(17(16)2)24-14-12-23(13-15-24)11-10-22-20(25)18-6-8-21-9-7-18/h3-9H,10-15H2,1-2H3,(H,22,25)
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2.20n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysi...


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145623
PNG
(CHEMBL3763714)
Show SMILES Clc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C18H21ClN4O/c19-16-3-1-2-4-17(16)23-13-11-22(12-14-23)10-9-21-18(24)15-5-7-20-8-6-15/h1-8H,9-14H2,(H,21,24)
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2.90n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145607
PNG
(CHEMBL3764341)
Show SMILES Clc1ccc(cc1)N1CCN(CCCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H23ClN4O/c20-17-2-4-18(5-3-17)24-14-12-23(13-15-24)11-1-8-22-19(25)16-6-9-21-10-7-16/h2-7,9-10H,1,8,11-15H2,(H,22,25)
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3.5n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145618
PNG
(CHEMBL3765463)
Show SMILES CCOc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C20H26N4O2/c1-2-26-19-6-4-3-5-18(19)24-15-13-23(14-16-24)12-11-22-20(25)17-7-9-21-10-8-17/h3-10H,2,11-16H2,1H3,(H,22,25)
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4.80n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50145618
PNG
(CHEMBL3765463)
Show SMILES CCOc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C20H26N4O2/c1-2-26-19-6-4-3-5-18(19)24-15-13-23(14-16-24)12-11-22-20(25)17-7-9-21-10-8-17/h3-10H,2,11-16H2,1H3,(H,22,25)
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5.10n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysi...


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50145623
PNG
(CHEMBL3763714)
Show SMILES Clc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C18H21ClN4O/c19-16-3-1-2-4-17(16)23-13-11-22(12-14-23)10-9-21-18(24)15-5-7-20-8-6-15/h1-8H,9-14H2,(H,21,24)
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6.80n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysi...


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145612
PNG
(CHEMBL3764177)
Show SMILES O=C(NCCCN1CCN(CC1)c1ncccn1)c1ccncc1
Show InChI InChI=1S/C17H22N6O/c24-16(15-3-8-18-9-4-15)19-7-2-10-22-11-13-23(14-12-22)17-20-5-1-6-21-17/h1,3-6,8-9H,2,7,10-14H2,(H,19,24)
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9.20n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145626
PNG
(CHEMBL3765122)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C18H20Cl2N4O/c19-16-2-1-15(13-17(16)20)24-11-9-23(10-12-24)8-7-22-18(25)14-3-5-21-6-4-14/h1-6,13H,7-12H2,(H,22,25)
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9.90n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145619
PNG
(CHEMBL3764074)
Show SMILES O=C(NCCN1CCN(CC1)c1ccccc1C#N)c1ccncc1
Show InChI InChI=1S/C19H21N5O/c20-15-17-3-1-2-4-18(17)24-13-11-23(12-14-24)10-9-22-19(25)16-5-7-21-8-6-16/h1-8H,9-14H2,(H,22,25)
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15n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145618
PNG
(CHEMBL3765463)
Show SMILES CCOc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C20H26N4O2/c1-2-26-19-6-4-3-5-18(19)24-15-13-23(14-16-24)12-11-22-20(25)17-7-9-21-10-8-17/h3-10H,2,11-16H2,1H3,(H,22,25)
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16n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145621
PNG
(CHEMBL3763242)
Show SMILES Cc1cccc(N2CCN(CCNC(=O)c3ccncc3)CC2)c1C
Show InChI InChI=1S/C20H26N4O/c1-16-4-3-5-19(17(16)2)24-14-12-23(13-15-24)11-10-22-20(25)18-6-8-21-9-7-18/h3-9H,10-15H2,1-2H3,(H,22,25)
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17n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50145616
PNG
(CHEMBL3763331)
Show SMILES Cl.Fc1ccc(cc1)C(N1CCN(CCCNC(=O)c2ccncc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H28F2N4O.ClH/c27-23-6-2-20(3-7-23)25(21-4-8-24(28)9-5-21)32-18-16-31(17-19-32)15-1-12-30-26(33)22-10-13-29-14-11-22;/h2-11,13-14,25H,1,12,15-19H2,(H,30,33);1H
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27n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145619
PNG
(CHEMBL3764074)
Show SMILES O=C(NCCN1CCN(CC1)c1ccccc1C#N)c1ccncc1
Show InChI InChI=1S/C19H21N5O/c20-15-17-3-1-2-4-18(17)24-13-11-23(12-14-24)10-9-22-19(25)16-5-7-21-8-6-16/h1-8H,9-14H2,(H,22,25)
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55n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145621
PNG
(CHEMBL3763242)
Show SMILES Cc1cccc(N2CCN(CCNC(=O)c3ccncc3)CC2)c1C
Show InChI InChI=1S/C20H26N4O/c1-16-4-3-5-19(17(16)2)24-14-12-23(13-15-24)11-10-22-20(25)18-6-8-21-9-7-18/h3-9H,10-15H2,1-2H3,(H,22,25)
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71n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145611
PNG
(CHEMBL3763429)
Show SMILES O=C(NCCCN1CCN(CC1)c1ccccn1)c1ccncc1
Show InChI InChI=1S/C18H23N5O/c24-18(16-5-9-19-10-6-16)21-8-3-11-22-12-14-23(15-13-22)17-4-1-2-7-20-17/h1-2,4-7,9-10H,3,8,11-15H2,(H,21,24)
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100n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145607
PNG
(CHEMBL3764341)
Show SMILES Clc1ccc(cc1)N1CCN(CCCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H23ClN4O/c20-17-2-4-18(5-3-17)24-14-12-23(13-15-24)11-1-8-22-19(25)16-6-9-21-10-7-16/h2-7,9-10H,1,8,11-15H2,(H,22,25)
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325n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145626
PNG
(CHEMBL3765122)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C18H20Cl2N4O/c19-16-2-1-15(13-17(16)20)24-11-9-23(10-12-24)8-7-22-18(25)14-3-5-21-6-4-14/h1-6,13H,7-12H2,(H,22,25)
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455n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145623
PNG
(CHEMBL3763714)
Show SMILES Clc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C18H21ClN4O/c19-16-3-1-2-4-17(16)23-13-11-22(12-14-23)10-9-21-18(24)15-5-7-20-8-6-15/h1-8H,9-14H2,(H,21,24)
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469n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145620
PNG
(CHEMBL3764772)
Show SMILES Cc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H24N4O/c1-16-4-2-3-5-18(16)23-14-12-22(13-15-23)11-10-21-19(24)17-6-8-20-9-7-17/h2-9H,10-15H2,1H3,(H,21,24)
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549n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145620
PNG
(CHEMBL3764772)
Show SMILES Cc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H24N4O/c1-16-4-2-3-5-18(16)23-14-12-22(13-15-23)11-10-21-19(24)17-6-8-20-9-7-17/h2-9H,10-15H2,1H3,(H,21,24)
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631n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145611
PNG
(CHEMBL3763429)
Show SMILES O=C(NCCCN1CCN(CC1)c1ccccn1)c1ccncc1
Show InChI InChI=1S/C18H23N5O/c24-18(16-5-9-19-10-6-16)21-8-3-11-22-12-14-23(15-13-22)17-4-1-2-7-20-17/h1-2,4-7,9-10H,3,8,11-15H2,(H,21,24)
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792n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50145612
PNG
(CHEMBL3764177)
Show SMILES O=C(NCCCN1CCN(CC1)c1ncccn1)c1ccncc1
Show InChI InChI=1S/C17H22N6O/c24-16(15-3-8-18-9-4-15)19-7-2-10-22-11-13-23(14-12-22)17-20-5-1-6-21-17/h1,3-6,8-9H,2,7,10-14H2,(H,19,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50145623
PNG
(CHEMBL3763714)
Show SMILES Clc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C18H21ClN4O/c19-16-3-1-2-4-17(16)23-13-11-22(12-14-23)10-9-21-18(24)15-5-7-20-8-6-15/h1-8H,9-14H2,(H,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50145612
PNG
(CHEMBL3764177)
Show SMILES O=C(NCCCN1CCN(CC1)c1ncccn1)c1ccncc1
Show InChI InChI=1S/C17H22N6O/c24-16(15-3-8-18-9-4-15)19-7-2-10-22-11-13-23(14-12-22)17-20-5-1-6-21-17/h1,3-6,8-9H,2,7,10-14H2,(H,19,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat striatum incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50145623
PNG
(CHEMBL3763714)
Show SMILES Clc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C18H21ClN4O/c19-16-3-1-2-4-17(16)23-13-11-22(12-14-23)10-9-21-18(24)15-5-7-20-8-6-15/h1-8H,9-14H2,(H,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat striatum incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50145626
PNG
(CHEMBL3765122)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C18H20Cl2N4O/c19-16-2-1-15(13-17(16)20)24-11-9-23(10-12-24)8-7-22-18(25)14-3-5-21-6-4-14/h1-6,13H,7-12H2,(H,22,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysi...


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50145620
PNG
(CHEMBL3764772)
Show SMILES Cc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H24N4O/c1-16-4-2-3-5-18(16)23-14-12-22(13-15-23)11-10-21-19(24)17-6-8-20-9-7-17/h2-9H,10-15H2,1H3,(H,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysi...


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50145619
PNG
(CHEMBL3764074)
Show SMILES O=C(NCCN1CCN(CC1)c1ccccc1C#N)c1ccncc1
Show InChI InChI=1S/C19H21N5O/c20-15-17-3-1-2-4-18(17)24-13-11-23(12-14-24)10-9-22-19(25)16-5-7-21-8-6-16/h1-8H,9-14H2,(H,22,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysi...


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145616
PNG
(CHEMBL3763331)
Show SMILES Cl.Fc1ccc(cc1)C(N1CCN(CCCNC(=O)c2ccncc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H28F2N4O.ClH/c27-23-6-2-20(3-7-23)25(21-4-8-24(28)9-5-21)32-18-16-31(17-19-32)15-1-12-30-26(33)22-10-13-29-14-11-22;/h2-11,13-14,25H,1,12,15-19H2,(H,30,33);1H
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50145616
PNG
(CHEMBL3763331)
Show SMILES Cl.Fc1ccc(cc1)C(N1CCN(CCCNC(=O)c2ccncc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H28F2N4O.ClH/c27-23-6-2-20(3-7-23)25(21-4-8-24(28)9-5-21)32-18-16-31(17-19-32)15-1-12-30-26(33)22-10-13-29-14-11-22;/h2-11,13-14,25H,1,12,15-19H2,(H,30,33);1H
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysi...


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50145612
PNG
(CHEMBL3764177)
Show SMILES O=C(NCCCN1CCN(CC1)c1ncccn1)c1ccncc1
Show InChI InChI=1S/C17H22N6O/c24-16(15-3-8-18-9-4-15)19-7-2-10-22-11-13-23(14-12-22)17-20-5-1-6-21-17/h1,3-6,8-9H,2,7,10-14H2,(H,19,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysi...


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50145607
PNG
(CHEMBL3764341)
Show SMILES Clc1ccc(cc1)N1CCN(CCCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H23ClN4O/c20-17-2-4-18(5-3-17)24-14-12-23(13-15-24)11-1-8-22-19(25)16-6-9-21-10-7-16/h2-7,9-10H,1,8,11-15H2,(H,22,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysi...


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50145611
PNG
(CHEMBL3763429)
Show SMILES O=C(NCCCN1CCN(CC1)c1ccccn1)c1ccncc1
Show InChI InChI=1S/C18H23N5O/c24-18(16-5-9-19-10-6-16)21-8-3-11-22-12-14-23(15-13-22)17-4-1-2-7-20-17/h1-2,4-7,9-10H,3,8,11-15H2,(H,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysi...


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145626
PNG
(CHEMBL3765122)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C18H20Cl2N4O/c19-16-2-1-15(13-17(16)20)24-11-9-23(10-12-24)8-7-22-18(25)14-3-5-21-6-4-14/h1-6,13H,7-12H2,(H,22,25)
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n/an/a 1.20n/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT2A receptor in Sprague-Dawley rat ileum assessed as inhibition of 5-HT-induced contraction


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50145677
PNG
(CHEMBL3765025)
Show SMILES COc1cc(\C=N/Nc2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H13N5O6S/c1-28-15-7-10(6-14(16(15)23)22(26)27)8-18-20-17-19-13(9-29-17)11-2-4-12(5-3-11)21(24)25/h2-9,23H,1H3,(H,19,20)/b18-8-
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MMDB

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n/an/a 4.58E+4n/an/an/an/an/an/a



NAS of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of human leucyl-tRNA synthetase assessed as reduction of [14C]-L-leucine ligation to tRNA incubated for 5 mins by scintillation counting m...


Bioorg Med Chem 24: 1023-31 (2016)


Article DOI: 10.1016/j.bmc.2016.01.028
BindingDB Entry DOI: 10.7270/Q2RN39Q8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50145631
PNG
(CHEMBL3763320)
Show SMILES Cc1ccc(COc2ccc3sc(=O)oc3c2)cc1
Show InChI InChI=1S/C15H12O3S/c1-10-2-4-11(5-3-10)9-17-12-6-7-14-13(8-12)18-15(16)19-14/h2-8H,9H2,1H3
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n/an/a 2.55E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A after 20 mins using 50 uM kynuramine as substrate by fluorescence spectrophotometry


Bioorg Med Chem Lett 26: 1200-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.034
BindingDB Entry DOI: 10.7270/Q2154JWF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50145631
PNG
(CHEMBL3763320)
Show SMILES Cc1ccc(COc2ccc3sc(=O)oc3c2)cc1
Show InChI InChI=1S/C15H12O3S/c1-10-2-4-11(5-3-10)9-17-12-6-7-14-13(8-12)18-15(16)19-14/h2-8H,9H2,1H3
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n/an/a 5n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B after 20 mins using 50 uM kynuramine as substrate by fluorescence spectrophotometry


Bioorg Med Chem Lett 26: 1200-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.034
BindingDB Entry DOI: 10.7270/Q2154JWF
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50145663
PNG
(CHEMBL3764874)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1C2CC1CN(C[C@H](N)C(O)=O)C2)C(F)(F)F
Show InChI InChI=1S/C24H26ClF3N8O3/c1-12-4-5-35(33-12)18-6-13(25)2-3-16(18)21(24(26,27)28)39-20-8-19(31-23(30)32-20)36-14-7-15(36)10-34(9-14)11-17(29)22(37)38/h2-6,8,14-15,17,21H,7,9-11,29H2,1H3,(H,37,38)(H2,30,31,32)/t14?,15?,17-,21+/m0/s1
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n/an/a 4.04E+3n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 1124-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.064
BindingDB Entry DOI: 10.7270/Q2WD42DJ
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50145668
PNG
(CHEMBL3763372)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC2(CNC(C2)C(O)=O)C1)C(F)(F)F
Show InChI InChI=1S/C24H25ClF3N7O3/c1-13-4-6-35(33-13)17-8-14(25)2-3-15(17)20(24(26,27)28)38-19-9-18(31-22(29)32-19)34-7-5-23(12-34)10-16(21(36)37)30-11-23/h2-4,6,8-9,16,20,30H,5,7,10-12H2,1H3,(H,36,37)(H2,29,31,32)/t16?,20-,23?/m1/s1
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n/an/a 8.54E+3n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 1124-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.064
BindingDB Entry DOI: 10.7270/Q2WD42DJ
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50145669
PNG
(CHEMBL3763846)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)C#CC[C@H](N)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C21H18ClF3N6O3/c1-11-7-8-31(30-11)16-9-12(22)5-6-14(16)18(21(23,24)25)34-17-10-13(28-20(27)29-17)3-2-4-15(26)19(32)33/h5-10,15,18H,4,26H2,1H3,(H,32,33)(H2,27,28,29)/t15-,18+/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 1124-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.064
BindingDB Entry DOI: 10.7270/Q2WD42DJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145607
PNG
(CHEMBL3764341)
Show SMILES Clc1ccc(cc1)N1CCN(CCCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H23ClN4O/c20-17-2-4-18(5-3-17)24-14-12-23(13-15-24)11-1-8-22-19(25)16-6-9-21-10-7-16/h2-7,9-10H,1,8,11-15H2,(H,22,25)
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n/an/a 2.30n/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT2A receptor in Sprague-Dawley rat ileum assessed as inhibition of 5-HT-induced contraction


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair