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BDBM50036874 4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-amino]-butyl}-benzamide; compound with oxalic acid::CHEMBL298534

SMILES: CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1

InChI Key: InChIKey=DDRVCPLCPBHTHJ-UHFFFAOYSA-N

Data: 7 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50036874   
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))
BDBM50036874
PNG
(4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-ami...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H31FN2O3/c1-3-14-27(20-16-21-22(29-2)7-6-8-23(21)30-17-20)15-5-4-13-26-24(28)18-9-11-19(25)12-10-18/h6-12,20H,3-5,13-17H2,1-2H3,(H,26,28)
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Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A (5-HT1A) receptor in rat hippocampus membranes


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036874
PNG
(4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-ami...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H31FN2O3/c1-3-14-27(20-16-21-22(29-2)7-6-8-23(21)30-17-20)15-5-4-13-26-24(28)18-9-11-19(25)12-10-18/h6-12,20H,3-5,13-17H2,1-2H3,(H,26,28)
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n/an/a 7n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against D2 receptor in calf caudate nucleus


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM50036874
PNG
(4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-ami...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H31FN2O3/c1-3-14-27(20-16-21-22(29-2)7-6-8-23(21)30-17-20)15-5-4-13-26-24(28)18-9-11-19(25)12-10-18/h6-12,20H,3-5,13-17H2,1-2H3,(H,26,28)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D1 in calf striatum


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50036874
PNG
(4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-ami...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H31FN2O3/c1-3-14-27(20-16-21-22(29-2)7-6-8-23(21)30-17-20)15-5-4-13-26-24(28)18-9-11-19(25)12-10-18/h6-12,20H,3-5,13-17H2,1-2H3,(H,26,28)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
Serotonin 2a (5-HT2a) receptor


(BOVINE)
BDBM50036874
PNG
(4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-ami...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H31FN2O3/c1-3-14-27(20-16-21-22(29-2)7-6-8-23(21)30-17-20)15-5-4-13-26-24(28)18-9-11-19(25)12-10-18/h6-12,20H,3-5,13-17H2,1-2H3,(H,26,28)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
adrenergic Alpha2


(BOVINE)
BDBM50036874
PNG
(4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-ami...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H31FN2O3/c1-3-14-27(20-16-21-22(29-2)7-6-8-23(21)30-17-20)15-5-4-13-26-24(28)18-9-11-19(25)12-10-18/h6-12,20H,3-5,13-17H2,1-2H3,(H,26,28)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50036874
PNG
(4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-ami...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H31FN2O3/c1-3-14-27(20-16-21-22(29-2)7-6-8-23(21)30-17-20)15-5-4-13-26-24(28)18-9-11-19(25)12-10-18/h6-12,20H,3-5,13-17H2,1-2H3,(H,26,28)
PDB

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n/an/a 3.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1B receptor in rat cortex, striatum and globus pallidus


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair