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5 similar compounds to monomer 50013050

Wt: 453.9
BDBM50013052
Wt: 472.4
BDBM50013064
Wt: 488.4
BDBM50013113
Wt: 458.3
BDBM50013103
Wt: 488.4
BDBM50013112

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50013052,50013064,50013113,50013103,50013112   
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))
BDBM50013112
PNG
(CHEMBL3261704)
Show SMILES COc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(CCN(C)C)c1ccccc1
Show InChI InChI=1S/C25H27Cl2N3O3/c1-30(2)14-13-22(17-7-5-4-6-8-17)33-23-12-10-19(16-24(23)32-3)29-25(31)28-18-9-11-20(26)21(27)15-18/h4-12,15-16,22H,13-14H2,1-3H3,(H2,28,29,31)
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2.80n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5-HT2C receptor in Sprague-Dawley rat choroid plexus membranes after 30 mins by liquid scintillation spectrophot...


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


(Rattus norvegicus (Rat))
BDBM50013103
PNG
(CHEMBL3261692)
Show SMILES CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1
Show InChI InChI=1S/C24H25Cl2N3O2/c1-29(2)15-14-23(17-6-4-3-5-7-17)31-20-11-8-18(9-12-20)27-24(30)28-19-10-13-21(25)22(26)16-19/h3-13,16,23H,14-15H2,1-2H3,(H2,27,28,30)
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2.90n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5-HT2C receptor in Sprague-Dawley rat choroid plexus membranes after 30 mins by liquid scintillation spectrophot...


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


(Rattus norvegicus (Rat))
BDBM50013052
PNG
(CHEMBL3261695)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1Cl
Show InChI InChI=1S/C25H28ClN3O3/c1-29(2)16-15-23(18-7-5-4-6-8-18)32-21-12-9-19(10-13-21)27-25(30)28-20-11-14-24(31-3)22(26)17-20/h4-14,17,23H,15-16H2,1-3H3,(H2,27,28,30)
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11n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 26: 914-20 (2016)

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


(Rattus norvegicus (Rat))
BDBM50013052
PNG
(CHEMBL3261695)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1Cl
Show InChI InChI=1S/C25H28ClN3O3/c1-29(2)16-15-23(18-7-5-4-6-8-18)32-21-12-9-19(10-13-21)27-25(30)28-20-11-14-24(31-3)22(26)17-20/h4-14,17,23H,15-16H2,1-3H3,(H2,27,28,30)
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11n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5-HT2C receptor in Sprague-Dawley rat choroid plexus membranes after 30 mins by liquid scintillation spectrophot...


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50013052
PNG
(CHEMBL3261695)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1Cl
Show InChI InChI=1S/C25H28ClN3O3/c1-29(2)16-15-23(18-7-5-4-6-8-18)32-21-12-9-19(10-13-21)27-25(30)28-20-11-14-24(31-3)22(26)17-20/h4-14,17,23H,15-16H2,1-3H3,(H2,27,28,30)
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41n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50013052
PNG
(CHEMBL3261695)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1Cl
Show InChI InChI=1S/C25H28ClN3O3/c1-29(2)16-15-23(18-7-5-4-6-8-18)32-21-12-9-19(10-13-21)27-25(30)28-20-11-14-24(31-3)22(26)17-20/h4-14,17,23H,15-16H2,1-3H3,(H2,27,28,30)
PDB

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41n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 26: 914-20 (2016)

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


(Rattus norvegicus (Rat))
BDBM50013064
PNG
(CHEMBL3261702)
Show SMILES CN(C)CCC(Oc1ccc(NC(=O)N(C)c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1
Show InChI InChI=1S/C25H27Cl2N3O2/c1-29(2)16-15-24(18-7-5-4-6-8-18)32-21-12-9-19(10-13-21)28-25(31)30(3)20-11-14-22(26)23(27)17-20/h4-14,17,24H,15-16H2,1-3H3,(H,28,31)
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79n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5-HT2C receptor in Sprague-Dawley rat choroid plexus membranes after 30 mins by liquid scintillation spectrophot...


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50013064
PNG
(CHEMBL3261702)
Show SMILES CN(C)CCC(Oc1ccc(NC(=O)N(C)c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1
Show InChI InChI=1S/C25H27Cl2N3O2/c1-29(2)16-15-24(18-7-5-4-6-8-18)32-21-12-9-19(10-13-21)28-25(31)30(3)20-11-14-22(26)23(27)17-20/h4-14,17,24H,15-16H2,1-3H3,(H,28,31)
PDB

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90n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50013103
PNG
(CHEMBL3261692)
Show SMILES CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1
Show InChI InChI=1S/C24H25Cl2N3O2/c1-29(2)15-14-23(17-6-4-3-5-7-17)31-20-11-8-18(9-12-20)27-24(30)28-19-10-13-21(25)22(26)16-19/h3-13,16,23H,14-15H2,1-2H3,(H2,27,28,30)
PDB

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135n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrophotometric analysis


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


(Rattus norvegicus (Rat))
BDBM50013113
PNG
(CHEMBL3261705)
Show SMILES COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC(CCN(C)C)c1ccccc1
Show InChI InChI=1S/C25H27Cl2N3O3/c1-30(2)14-13-22(17-7-5-4-6-8-17)33-24-16-19(10-12-23(24)32-3)29-25(31)28-18-9-11-20(26)21(27)15-18/h4-12,15-16,22H,13-14H2,1-3H3,(H2,28,29,31)
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PubMed
197n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5-HT2C receptor in Sprague-Dawley rat choroid plexus membranes after 30 mins by liquid scintillation spectrophot...


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


(Rattus norvegicus (rat))
BDBM50013052
PNG
(CHEMBL3261695)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1Cl
Show InChI InChI=1S/C25H28ClN3O3/c1-29(2)16-15-23(18-7-5-4-6-8-18)32-21-12-9-19(10-13-21)27-25(30)28-20-11-14-24(31-3)22(26)17-20/h4-14,17,23H,15-16H2,1-3H3,(H2,27,28,30)
Reactome pathway
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233n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A in Wistar rat frontal cortex membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 26: 914-20 (2016)

More data for this
Ligand-Target Pair