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4 similar compounds to monomer 50020192

Wt: 383.4
BDBM86525
Purchase
Wt: 379.4
BDBM50044440
Wt: 395.4
BDBM50044441
Wt: 365.4
BDBM50044454

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 86525,50044440,50044441,50044454   
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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM86525
PNG
(AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445)
Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
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3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity against dopamine receptor D2


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


(Homo sapiens (human))
BDBM86525
PNG
(AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445)
Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
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22.4n/an/an/an/an/an/an/an/a



Vernalis Research

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)

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


(Rattus norvegicus (rat))
BDBM50044440
PNG
(8-(4-Phenoxy-butyl)-1-phenyl-1,3,8-triaza-spiro[4....)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCOc2ccccc2)CC1
Show InChI InChI=1S/C23H29N3O2/c27-22-23(26(19-24-22)20-9-3-1-4-10-20)13-16-25(17-14-23)15-7-8-18-28-21-11-5-2-6-12-21/h1-6,9-12H,7-8,13-19H2,(H,24,27)
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30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity against 5-hydroxytryptamine 1A receptor from rat frontal cortical regions using [3H]-8-OH-DPAT as radioligand


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


(Rattus norvegicus (rat))
BDBM86525
PNG
(AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445)
Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
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50n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity against 5-hydroxytryptamine 1A receptor from rat frontal cortical regions using [3H]-8-OH-DPAT as radioligand


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


(Rattus norvegicus (rat))
BDBM50044454
PNG
(8-(3-Phenoxy-propyl)-1-phenyl-1,3,8-triaza-spiro[4...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCOc2ccccc2)CC1
Show InChI InChI=1S/C22H27N3O2/c26-21-22(25(18-23-21)19-8-3-1-4-9-19)12-15-24(16-13-22)14-7-17-27-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2,(H,23,26)
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75n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity against 5-hydroxytryptamine 1A receptor from rat frontal cortical regions using [3H]-8-OH-DPAT as radioligand


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


(Rattus norvegicus (rat))
BDBM50044441
PNG
(8-[3-(4-Methoxy-phenoxy)-propyl]-1-phenyl-1,3,8-tr...)
Show SMILES COc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H29N3O3/c1-28-20-8-10-21(11-9-20)29-17-5-14-25-15-12-23(13-16-25)22(27)24-18-26(23)19-6-3-2-4-7-19/h2-4,6-11H,5,12-18H2,1H3,(H,24,27)
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445n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity against 5-hydroxytryptamine 1A receptor from rat frontal cortical regions using [3H]-8-OH-DPAT as radioligand


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


(Homo sapiens (human))
BDBM86525
PNG
(AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445)
Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
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PubMed
977n/an/an/an/an/an/an/an/a



Vernalis Research

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)

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


(Homo sapiens (human))
BDBM86525
PNG
(AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445)
Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
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1.55E+3n/an/an/an/an/an/an/an/a



Vernalis Research

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Mus musculus (Mouse))
BDBM86525
PNG
(AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445)
Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
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2.53E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity against dopamine receptor D1


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


(Rattus norvegicus (Rat))
BDBM86525
PNG
(AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445)
Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
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4.30E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity against 5-hydroxytryptamine 1C receptor from rat frontal cortical regions using [3H]-mesulergine as radioligand


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


(Rattus norvegicus (Rat))
BDBM50044440
PNG
(8-(4-Phenoxy-butyl)-1-phenyl-1,3,8-triaza-spiro[4....)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCOc2ccccc2)CC1
Show InChI InChI=1S/C23H29N3O2/c27-22-23(26(19-24-22)20-9-3-1-4-10-20)13-16-25(17-14-23)15-7-8-18-28-21-11-5-2-6-12-21/h1-6,9-12H,7-8,13-19H2,(H,24,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity against 5-hydroxytryptamine 1C receptor from rat frontal cortical regions using [3H]-mesulergine as radioligand


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


(Rattus norvegicus (Rat))
BDBM50044454
PNG
(8-(3-Phenoxy-propyl)-1-phenyl-1,3,8-triaza-spiro[4...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCOc2ccccc2)CC1
Show InChI InChI=1S/C22H27N3O2/c26-21-22(25(18-23-21)19-8-3-1-4-9-19)12-15-24(16-13-22)14-7-17-27-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity against 5-hydroxytryptamine 1C receptor from rat frontal cortical regions using [3H]-mesulergine as radioligand


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


(Rattus norvegicus (Rat))
BDBM50044441
PNG
(8-[3-(4-Methoxy-phenoxy)-propyl]-1-phenyl-1,3,8-tr...)
Show SMILES COc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H29N3O3/c1-28-20-8-10-21(11-9-20)29-17-5-14-25-15-12-23(13-16-25)22(27)24-18-26(23)19-6-3-2-4-7-19/h2-4,6-11H,5,12-18H2,1H3,(H,24,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity against 5-hydroxytryptamine 1C receptor from rat frontal cortical regions using [3H]-mesulergine as radioligand


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


(Homo sapiens (human))
BDBM86525
PNG
(AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445)
Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
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n/an/a 0.316n/an/an/an/an/an/a



ACADIA Pharmaceuticals A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for its inverse agonist activity against 5-hydroxytryptamine 2A receptor


Citation and Details
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM86525
PNG
(AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445)
Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
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PubMed
n/an/an/an/a 3.16E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay


Drug Metab Dispos 39: 151-9 (2010)

More data for this
Ligand-Target Pair