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3 similar compounds to monomer 50036844

Compile data set for download or QSAR
Wt: 408.4
BDBM50036861
Wt: 380.4
BDBM50036867
Wt: 394.4
BDBM50036845

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50036861,50036867,50036845   
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
DRD1


(BOVINE)
BDBM50036845
PNG
(2-{2-[(5-Methoxy-chroman-3-yl)-propyl-amino]-ethyl...)
Show SMILES CCCN(CCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C23H26N2O4/c1-3-11-24(16-14-19-20(28-2)9-6-10-21(19)29-15-16)12-13-25-22(26)17-7-4-5-8-18(17)23(25)27/h4-10,16H,3,11-15H2,1-2H3
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n/an/a>1.00E+6n/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
Serotonin 2a (5-HT2a) receptor


(BOVINE)
BDBM50036861
PNG
(2-{3-[(5-Methoxy-chroman-3-yl)-propyl-amino]-propy...)
Show SMILES CCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H28N2O4/c1-3-12-25(17-15-20-21(29-2)10-6-11-22(20)30-16-17)13-7-14-26-23(27)18-8-4-5-9-19(18)24(26)28/h4-6,8-11,17H,3,7,12-16H2,1-2H3
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n/an/a 8.00E+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)
BDBM50036867
PNG
(2-[4-(5-Methoxy-chroman-3-ylamino)-butyl]-isoindol...)
Show SMILES COc1cccc2OCC(Cc12)NCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H24N2O4/c1-27-19-9-6-10-20-18(19)13-15(14-28-20)23-11-4-5-12-24-21(25)16-7-2-3-8-17(16)22(24)26/h2-3,6-10,15,23H,4-5,11-14H2,1H3
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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 2a (5-HT2a) receptor


(BOVINE)
BDBM50036867
PNG
(2-[4-(5-Methoxy-chroman-3-ylamino)-butyl]-isoindol...)
Show SMILES COc1cccc2OCC(Cc12)NCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H24N2O4/c1-27-19-9-6-10-20-18(19)13-15(14-28-20)23-11-4-5-12-24-21(25)16-7-2-3-8-17(16)22(24)26/h2-3,6-10,15,23H,4-5,11-14H2,1H3
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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
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50036845
PNG
(2-{2-[(5-Methoxy-chroman-3-yl)-propyl-amino]-ethyl...)
Show SMILES CCCN(CCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C23H26N2O4/c1-3-11-24(16-14-19-20(28-2)9-6-10-21(19)29-15-16)12-13-25-22(26)17-7-4-5-8-18(17)23(25)27/h4-10,16H,3,11-15H2,1-2H3
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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
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50036845
PNG
(2-{2-[(5-Methoxy-chroman-3-yl)-propyl-amino]-ethyl...)
Show SMILES CCCN(CCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C23H26N2O4/c1-3-11-24(16-14-19-20(28-2)9-6-10-21(19)29-15-16)12-13-25-22(26)17-7-4-5-8-18(17)23(25)27/h4-10,16H,3,11-15H2,1-2H3
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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)
BDBM50036845
PNG
(2-{2-[(5-Methoxy-chroman-3-yl)-propyl-amino]-ethyl...)
Show SMILES CCCN(CCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C23H26N2O4/c1-3-11-24(16-14-19-20(28-2)9-6-10-21(19)29-15-16)12-13-25-22(26)17-7-4-5-8-18(17)23(25)27/h4-10,16H,3,11-15H2,1-2H3
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n/an/a>1.00E+5n/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
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50036861
PNG
(2-{3-[(5-Methoxy-chroman-3-yl)-propyl-amino]-propy...)
Show SMILES CCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H28N2O4/c1-3-12-25(17-15-20-21(29-2)10-6-11-22(20)30-16-17)13-7-14-26-23(27)18-8-4-5-9-19(18)24(26)28/h4-6,8-11,17H,3,7,12-16H2,1-2H3
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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-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 (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036867
PNG
(2-[4-(5-Methoxy-chroman-3-ylamino)-butyl]-isoindol...)
Show SMILES COc1cccc2OCC(Cc12)NCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H24N2O4/c1-27-19-9-6-10-20-18(19)13-15(14-28-20)23-11-4-5-12-24-21(25)16-7-2-3-8-17(16)22(24)26/h2-3,6-10,15,23H,4-5,11-14H2,1H3
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n/an/a 90n/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
DRD1


(BOVINE)
BDBM50036867
PNG
(2-[4-(5-Methoxy-chroman-3-ylamino)-butyl]-isoindol...)
Show SMILES COc1cccc2OCC(Cc12)NCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H24N2O4/c1-27-19-9-6-10-20-18(19)13-15(14-28-20)23-11-4-5-12-24-21(25)16-7-2-3-8-17(16)22(24)26/h2-3,6-10,15,23H,4-5,11-14H2,1H3
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n/an/a 3.00E+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
DRD1


(BOVINE)
BDBM50036861
PNG
(2-{3-[(5-Methoxy-chroman-3-yl)-propyl-amino]-propy...)
Show SMILES CCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H28N2O4/c1-3-12-25(17-15-20-21(29-2)10-6-11-22(20)30-16-17)13-7-14-26-23(27)18-8-4-5-9-19(18)24(26)28/h4-6,8-11,17H,3,7,12-16H2,1-2H3
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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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036845
PNG
(2-{2-[(5-Methoxy-chroman-3-yl)-propyl-amino]-ethyl...)
Show SMILES CCCN(CCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C23H26N2O4/c1-3-11-24(16-14-19-20(28-2)9-6-10-21(19)29-15-16)12-13-25-22(26)17-7-4-5-8-18(17)23(25)27/h4-10,16H,3,11-15H2,1-2H3
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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
adrenergic Alpha2


(BOVINE)
BDBM50036861
PNG
(2-{3-[(5-Methoxy-chroman-3-yl)-propyl-amino]-propy...)
Show SMILES CCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H28N2O4/c1-3-12-25(17-15-20-21(29-2)10-6-11-22(20)30-16-17)13-7-14-26-23(27)18-8-4-5-9-19(18)24(26)28/h4-6,8-11,17H,3,7,12-16H2,1-2H3
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n/an/a 1.00E+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))
BDBM50036861
PNG
(2-{3-[(5-Methoxy-chroman-3-yl)-propyl-amino]-propy...)
Show SMILES CCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H28N2O4/c1-3-12-25(17-15-20-21(29-2)10-6-11-22(20)30-16-17)13-7-14-26-23(27)18-8-4-5-9-19(18)24(26)28/h4-6,8-11,17H,3,7,12-16H2,1-2H3
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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
DRD2


(BOVINE)
BDBM50036867
PNG
(2-[4-(5-Methoxy-chroman-3-ylamino)-butyl]-isoindol...)
Show SMILES COc1cccc2OCC(Cc12)NCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H24N2O4/c1-27-19-9-6-10-20-18(19)13-15(14-28-20)23-11-4-5-12-24-21(25)16-7-2-3-8-17(16)22(24)26/h2-3,6-10,15,23H,4-5,11-14H2,1H3
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n/an/a 5.00E+3n/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
adrenergic Alpha2


(BOVINE)
BDBM50036845
PNG
(2-{2-[(5-Methoxy-chroman-3-yl)-propyl-amino]-ethyl...)
Show SMILES CCCN(CCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C23H26N2O4/c1-3-11-24(16-14-19-20(28-2)9-6-10-21(19)29-15-16)12-13-25-22(26)17-7-4-5-8-18(17)23(25)27/h4-10,16H,3,11-15H2,1-2H3
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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))
BDBM50036867
PNG
(2-[4-(5-Methoxy-chroman-3-ylamino)-butyl]-isoindol...)
Show SMILES COc1cccc2OCC(Cc12)NCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H24N2O4/c1-27-19-9-6-10-20-18(19)13-15(14-28-20)23-11-4-5-12-24-21(25)16-7-2-3-8-17(16)22(24)26/h2-3,6-10,15,23H,4-5,11-14H2,1H3
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n/an/a 7.00E+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
DRD2


(BOVINE)
BDBM50036861
PNG
(2-{3-[(5-Methoxy-chroman-3-yl)-propyl-amino]-propy...)
Show SMILES CCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H28N2O4/c1-3-12-25(17-15-20-21(29-2)10-6-11-22(20)30-16-17)13-7-14-26-23(27)18-8-4-5-9-19(18)24(26)28/h4-6,8-11,17H,3,7,12-16H2,1-2H3
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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
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50036867
PNG
(2-[4-(5-Methoxy-chroman-3-ylamino)-butyl]-isoindol...)
Show SMILES COc1cccc2OCC(Cc12)NCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H24N2O4/c1-27-19-9-6-10-20-18(19)13-15(14-28-20)23-11-4-5-12-24-21(25)16-7-2-3-8-17(16)22(24)26/h2-3,6-10,15,23H,4-5,11-14H2,1H3
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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 (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036861
PNG
(2-{3-[(5-Methoxy-chroman-3-yl)-propyl-amino]-propy...)
Show SMILES CCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H28N2O4/c1-3-12-25(17-15-20-21(29-2)10-6-11-22(20)30-16-17)13-7-14-26-23(27)18-8-4-5-9-19(18)24(26)28/h4-6,8-11,17H,3,7,12-16H2,1-2H3
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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)
BDBM50036845
PNG
(2-{2-[(5-Methoxy-chroman-3-yl)-propyl-amino]-ethyl...)
Show SMILES CCCN(CCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C23H26N2O4/c1-3-11-24(16-14-19-20(28-2)9-6-10-21(19)29-15-16)12-13-25-22(26)17-7-4-5-8-18(17)23(25)27/h4-10,16H,3,11-15H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



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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