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3 similar compounds to monomer 50024204

Wt: 376.5
BDBM50451023
Wt: 362.4
BDBM86527
Wt: 348.4
BDBM50130260

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50451023,86527,50130260   
Target
(Institution)
LigandTarget
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 receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50451023
PNG
(MESULERGINE)
Show SMILES CN(C)S(=O)(=O)NC[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C19H28N4O2S/c1-21(2)26(24,25)20-10-13-8-16-15-6-5-7-17-19(15)14(12-23(17)4)9-18(16)22(3)11-13/h5-7,12-13,16,18,20H,8-11H2,1-4H3/t13-,16-,18-/m1/s1
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0.730n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to displace [3H]mesulergine bound to 5-hydroxytryptamine 2C receptor in rat cortex


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50451023
PNG
(MESULERGINE)
Show SMILES CN(C)S(=O)(=O)NC[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C19H28N4O2S/c1-21(2)26(24,25)20-10-13-8-16-15-6-5-7-17-19(15)14(12-23(17)4)9-18(16)22(3)11-13/h5-7,12-13,16,18,20H,8-11H2,1-4H3/t13-,16-,18-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity to porcine choroid plexus at 5-hydroxytryptamine 2C receptor binding site by using [3H]-MES as a radioligand.


J Med Chem 30: 1-12 (1987)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM86527
PNG
(CAS_64795-35-3 | MESULERGINE | NSC_68848)
Show SMILES CN(C)S(=O)(=O)NC1CC2C(Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3
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1.82n/an/an/an/an/an/an/an/a



Vernalis Research

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM86527
PNG
(CAS_64795-35-3 | MESULERGINE | NSC_68848)
Show SMILES CN(C)S(=O)(=O)NC1CC2C(Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3
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3.47n/an/an/an/an/an/an/an/a



Vernalis Research

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50451023
PNG
(MESULERGINE)
Show SMILES CN(C)S(=O)(=O)NC[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C19H28N4O2S/c1-21(2)26(24,25)20-10-13-8-16-15-6-5-7-17-19(15)14(12-23(17)4)9-18(16)22(3)11-13/h5-7,12-13,16,18,20H,8-11H2,1-4H3/t13-,16-,18-/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
The compound was tested for their binding affinity towards 5-hydroxytryptamine 2C receptor


J Med Chem 38: 2692-704 (1995)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50451023
PNG
(MESULERGINE)
Show SMILES CN(C)S(=O)(=O)NC[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C19H28N4O2S/c1-21(2)26(24,25)20-10-13-8-16-15-6-5-7-17-19(15)14(12-23(17)4)9-18(16)22(3)11-13/h5-7,12-13,16,18,20H,8-11H2,1-4H3/t13-,16-,18-/m1/s1
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7.90n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 10: 1097-100 (2000)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50130260
PNG
(CHEMBL95067 | Compound 71 | Disulergine)
Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C17H24N4O2S/c1-20(2)24(22,23)19-12-8-14-13-5-4-6-15-17(13)11(9-18-15)7-16(14)21(3)10-12/h4-6,9,12,14,16,18-19H,7-8,10H2,1-3H3/t12-,14+,16+/m0/s1
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18n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50130260
PNG
(CHEMBL95067 | Compound 71 | Disulergine)
Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C17H24N4O2S/c1-20(2)24(22,23)19-12-8-14-13-5-4-6-15-17(13)11(9-18-15)7-16(14)21(3)10-12/h4-6,9,12,14,16,18-19H,7-8,10H2,1-3H3/t12-,14+,16+/m0/s1
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21n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 7 receptor


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2A (5-HT2A)


(Homo sapiens (human))
BDBM86527
PNG
(CAS_64795-35-3 | MESULERGINE | NSC_68848)
Show SMILES CN(C)S(=O)(=O)NC1CC2C(Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3
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45.7n/an/an/an/an/an/an/an/a



Vernalis Research

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50451023
PNG
(MESULERGINE)
Show SMILES CN(C)S(=O)(=O)NC[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C19H28N4O2S/c1-21(2)26(24,25)20-10-13-8-16-15-6-5-7-17-19(15)14(12-23(17)4)9-18(16)22(3)11-13/h5-7,12-13,16,18,20H,8-11H2,1-4H3/t13-,16-,18-/m1/s1
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300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity to hippocampus striatal membranes at 5-hydroxytryptamine 1A receptor binding site by using [3H]-8-OH- DPAT as a ra...


J Med Chem 30: 1-12 (1987)

More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50451023
PNG
(MESULERGINE)
Show SMILES CN(C)S(=O)(=O)NC[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C19H28N4O2S/c1-21(2)26(24,25)20-10-13-8-16-15-6-5-7-17-19(15)14(12-23(17)4)9-18(16)22(3)11-13/h5-7,12-13,16,18,20H,8-11H2,1-4H3/t13-,16-,18-/m1/s1
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1.30E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity (Ki) to rat cortical membranes at 5-HT1B binding site by using [125 I] ICYP as a radioligand.


J Med Chem 30: 1-12 (1987)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50451023
PNG
(MESULERGINE)
Show SMILES CN(C)S(=O)(=O)NC[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C19H28N4O2S/c1-21(2)26(24,25)20-10-13-8-16-15-6-5-7-17-19(15)14(12-23(17)4)9-18(16)22(3)11-13/h5-7,12-13,16,18,20H,8-11H2,1-4H3/t13-,16-,18-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50451023
PNG
(MESULERGINE)
Show SMILES CN(C)S(=O)(=O)NC[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C19H28N4O2S/c1-21(2)26(24,25)20-10-13-8-16-15-6-5-7-17-19(15)14(12-23(17)4)9-18(16)22(3)11-13/h5-7,12-13,16,18,20H,8-11H2,1-4H3/t13-,16-,18-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled [3H]-Zacopride ligand binding to 5-hydroxytryptamine 3 receptor


Citation and Details
More data for this
Ligand-Target Pair