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13 similar compounds to monomer 50288587

Compile data set for download or QSAR
Wt: 349.8
BDBM50000481
Wt: 367.8
BDBM50122872
Purchase
Wt: 306.7
BDBM50161758
Wt: 287.3
BDBM50288581
Wt: 323.8
BDBM50288582
Wt: 306.7
BDBM50288583
Wt: 378.9
BDBM50288584
Wt: 321.8
BDBM50288586
Wt: 287.3
BDBM50288588
Wt: 378.9
BDBM50288592
Wt: 365.8
BDBM50288594
Wt: 337.8
BDBM50288596
Wt: 352.8
BDBM50370287

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 94 hits for monomerid = 50000481,50122872,50161758,50288581,50288582,50288583,50288584,50288586,50288588,50288592,50288594,50288596,50370287   
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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50161758
PNG
(2-(5-chloro-2,3-dihydrobenzo[b]furan-7-ylcarboxami...)
Show SMILES Clc1cc2CCOc2c(c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H19ClN2O2/c17-12-7-11-3-6-21-15(11)13(8-12)16(20)18-14-9-19-4-1-10(14)2-5-19/h7-8,10,14H,1-6,9H2,(H,18,20)/t14-/m0/s1
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1n/an/an/an/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Binding affinity to 5HT3 receptor


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288583
PNG
(2-(5-chloro-2,3-dihydrobenzo[b]furan-7-ylcarboxami...)
Show SMILES Clc1cc2CCOc2c(c1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H19ClN2O2/c17-12-7-11-3-6-21-15(11)13(8-12)16(20)18-14-9-19-4-1-10(14)2-5-19/h7-8,10,14H,1-6,9H2,(H,18,20)/t14-/m1/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50161758
PNG
(2-(5-chloro-2,3-dihydrobenzo[b]furan-7-ylcarboxami...)
Show SMILES Clc1cc2CCOc2c(c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H19ClN2O2/c17-12-7-11-3-6-21-15(11)13(8-12)16(20)18-14-9-19-4-1-10(14)2-5-19/h7-8,10,14H,1-6,9H2,(H,18,20)/t14-/m0/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288581
PNG
(2-(4-amino-2,3-dihydrobenzo[b]furan-7-ylcarboxamid...)
Show SMILES Nc1ccc(C(=O)N[C@@H]2CN3CCC2CC3)c2OCCc12
Show InChI InChI=1S/C16H21N3O2/c17-13-2-1-12(15-11(13)5-8-21-15)16(20)18-14-9-19-6-3-10(14)4-7-19/h1-2,10,14H,3-9,17H2,(H,18,20)/t14-/m1/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288586
PNG
(2-(4-amino-5-chloro-2,3-dihydrobenzo[b]furan-7-ylc...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H20ClN3O2/c17-12-7-11(15-10(14(12)18)3-6-22-15)16(21)19-13-8-20-4-1-9(13)2-5-20/h7,9,13H,1-6,8,18H2,(H,19,21)/t13-/m0/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288594
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES CCCCN1CCC(CNC(=O)c2cc(Cl)c(N)c3CCOc23)CC1
Show InChI InChI=1S/C19H28ClN3O2/c1-2-3-7-23-8-4-13(5-9-23)12-22-19(24)15-11-16(20)17(21)14-6-10-25-18(14)15/h11,13H,2-10,12,21H2,1H3,(H,22,24)
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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50288584
PNG
((S)-3-[(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-...)
Show SMILES CCCC[N+]12CCC(CC1)[C@@H](C2)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C20H28ClN3O2/c1-2-3-7-24-8-4-13(5-9-24)17(12-24)23-20(25)15-11-16(21)18(22)14-6-10-26-19(14)15/h11,13,17H,2-10,12H2,1H3,(H2-,22,23,25)/p+1/t13?,17-,24?/m1/s1
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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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2.5n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)


BindingDB Entry DOI: 10.7270/Q23T9FSX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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7.5n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for agonist activity against 5-hydroxytryptamine 4 receptor


J Med Chem 46: 319-44 (2003)


Article DOI: 10.1021/jm020099f
BindingDB Entry DOI: 10.7270/Q2T72J6J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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8n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)


BindingDB Entry DOI: 10.7270/Q23T9FSX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288596
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)NCCCN1CCCCC1
Show InChI InChI=1S/C17H24ClN3O2/c18-14-11-13(16-12(15(14)19)5-10-23-16)17(22)20-6-4-9-21-7-2-1-3-8-21/h11H,1-10,19H2,(H,20,22)
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9.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288592
PNG
((R)-3-[(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-...)
Show SMILES CCCC[N+]12CCC(CC1)[C@H](C2)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C20H28ClN3O2/c1-2-3-7-24-8-4-13(5-9-24)17(12-24)23-20(25)15-11-16(21)18(22)14-6-10-26-19(14)15/h11,13,17H,2-10,12H2,1H3,(H2-,22,23,25)/p+1/t13?,17-,24?/m0/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288588
PNG
(2-(4-amino-2,3-dihydrobenzo[b]furan-7-ylcarboxamid...)
Show SMILES Nc1ccc(C(=O)N[C@H]2CN3CCC2CC3)c2OCCc12
Show InChI InChI=1S/C16H21N3O2/c17-13-2-1-12(15-11(13)5-8-21-15)16(20)18-14-9-19-6-3-10(14)4-7-19/h1-2,10,14H,3-9,17H2,(H,18,20)/t14-/m0/s1
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50288582
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C16H22ClN3O2/c17-13-10-12(15-11(14(13)18)4-9-22-15)16(21)19-5-8-20-6-2-1-3-7-20/h10H,1-9,18H2,(H,19,21)
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41n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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US Patent
44.1n/an/an/an/an/an/an/an/a



UNIVERSITE DE CAEN

US Patent


Assay Description
Prior to these competition studies, a series of saturation curves were performed in order to check whether the pharmacological parameters Kd, Bmax an...


US Patent US9663465 (2017)

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


(Rattus norvegicus-RAT)
BDBM50288594
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES CCCCN1CCC(CNC(=O)c2cc(Cl)c(N)c3CCOc23)CC1
Show InChI InChI=1S/C19H28ClN3O2/c1-2-3-7-23-8-4-13(5-9-23)12-22-19(24)15-11-16(20)17(21)14-6-10-25-18(14)15/h11,13H,2-10,12,21H2,1H3,(H,22,24)
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57n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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63.1n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 74: 478-89 (2000)


BindingDB Entry DOI: 10.7270/Q2DJ5D5Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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63.1n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 74: 478-89 (2000)


BindingDB Entry DOI: 10.7270/Q2DJ5D5Z
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288584
PNG
((S)-3-[(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-...)
Show SMILES CCCC[N+]12CCC(CC1)[C@@H](C2)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C20H28ClN3O2/c1-2-3-7-24-8-4-13(5-9-24)17(12-24)23-20(25)15-11-16(21)18(22)14-6-10-26-19(14)15/h11,13,17H,2-10,12H2,1H3,(H2-,22,23,25)/p+1/t13?,17-,24?/m1/s1
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73n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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100n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 74: 478-89 (2000)


BindingDB Entry DOI: 10.7270/Q2DJ5D5Z
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000481
PNG
(8-Amino-7-chloro-2,3,4,5-tetrahydro-benzo[b]oxepin...)
Show SMILES Nc1c(Cl)cc2CCCCOc2c1C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C18H24ClN3O2/c19-13-9-12-3-1-2-8-24-17(12)15(16(13)20)18(23)21-14-10-22-6-4-11(14)5-7-22/h9,11,14H,1-8,10,20H2,(H,21,23)
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>100n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


J Med Chem 35: 895-903 (1992)


Article DOI: 10.1021/jm00083a014
BindingDB Entry DOI: 10.7270/Q2SJ1M77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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110n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for selectivity for 5-hydroxytryptamine 4 receptor


J Med Chem 46: 319-44 (2003)


Article DOI: 10.1021/jm020099f
BindingDB Entry DOI: 10.7270/Q2T72J6J
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288586
PNG
(2-(4-amino-5-chloro-2,3-dihydrobenzo[b]furan-7-ylc...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H20ClN3O2/c17-12-7-11(15-10(14(12)18)3-6-22-15)16(21)19-13-8-20-4-1-9(13)2-5-20/h7,9,13H,1-6,8,18H2,(H,19,21)/t13-/m0/s1
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115n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50288583
PNG
(2-(5-chloro-2,3-dihydrobenzo[b]furan-7-ylcarboxami...)
Show SMILES Clc1cc2CCOc2c(c1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H19ClN2O2/c17-12-7-11-3-6-21-15(11)13(8-12)16(20)18-14-9-19-4-1-10(14)2-5-19/h7-8,10,14H,1-6,9H2,(H,18,20)/t14-/m1/s1
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170n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50161758
PNG
(2-(5-chloro-2,3-dihydrobenzo[b]furan-7-ylcarboxami...)
Show SMILES Clc1cc2CCOc2c(c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H19ClN2O2/c17-12-7-11-3-6-21-15(11)13(8-12)16(20)18-14-9-19-4-1-10(14)2-5-19/h7-8,10,14H,1-6,9H2,(H,18,20)/t14-/m0/s1
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280n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288582
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C16H22ClN3O2/c17-13-10-12(15-11(14(13)18)4-9-22-15)16(21)19-5-8-20-6-2-1-3-7-20/h10H,1-9,18H2,(H,19,21)
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380n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50288592
PNG
((R)-3-[(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-...)
Show SMILES CCCC[N+]12CCC(CC1)[C@H](C2)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C20H28ClN3O2/c1-2-3-7-24-8-4-13(5-9-24)17(12-24)23-20(25)15-11-16(21)18(22)14-6-10-26-19(14)15/h11,13,17H,2-10,12H2,1H3,(H2-,22,23,25)/p+1/t13?,17-,24?/m0/s1
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420n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50288581
PNG
(2-(4-amino-2,3-dihydrobenzo[b]furan-7-ylcarboxamid...)
Show SMILES Nc1ccc(C(=O)N[C@@H]2CN3CCC2CC3)c2OCCc12
Show InChI InChI=1S/C16H21N3O2/c17-13-2-1-12(15-11(13)5-8-21-15)16(20)18-14-9-19-6-3-10(14)4-7-19/h1-2,10,14H,3-9,17H2,(H,18,20)/t14-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for selectivity for 5-hydroxytryptamine 4 receptor


J Med Chem 46: 319-44 (2003)


Article DOI: 10.1021/jm020099f
BindingDB Entry DOI: 10.7270/Q2T72J6J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for selectivity for 5-hydroxytryptamine 4 receptor


J Med Chem 46: 319-44 (2003)


Article DOI: 10.1021/jm020099f
BindingDB Entry DOI: 10.7270/Q2T72J6J
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50288588
PNG
(2-(4-amino-2,3-dihydrobenzo[b]furan-7-ylcarboxamid...)
Show SMILES Nc1ccc(C(=O)N[C@H]2CN3CCC2CC3)c2OCCc12
Show InChI InChI=1S/C16H21N3O2/c17-13-2-1-12(15-11(13)5-8-21-15)16(20)18-14-9-19-6-3-10(14)4-7-19/h1-2,10,14H,3-9,17H2,(H,18,20)/t14-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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2.35E+3n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)


BindingDB Entry DOI: 10.7270/Q23T9FSX
More data for this
Ligand-Target Pair
Sigma-1


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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3.68E+3n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)


BindingDB Entry DOI: 10.7270/Q23T9FSX
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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3.82E+3n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)


BindingDB Entry DOI: 10.7270/Q23T9FSX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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3.98E+3n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity at 5HT3 receptor


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288596
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)NCCCN1CCCCC1
Show InChI InChI=1S/C17H24ClN3O2/c18-14-11-13(16-12(15(14)19)5-10-23-16)17(22)20-6-4-9-21-7-2-1-3-8-21/h11H,1-10,19H2,(H,20,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)


BindingDB Entry DOI: 10.7270/Q23T9FSX
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)


BindingDB Entry DOI: 10.7270/Q23T9FSX
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)


BindingDB Entry DOI: 10.7270/Q23T9FSX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)


BindingDB Entry DOI: 10.7270/Q23T9FSX
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)


BindingDB Entry DOI: 10.7270/Q23T9FSX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)


BindingDB Entry DOI: 10.7270/Q23T9FSX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)


BindingDB Entry DOI: 10.7270/Q23T9FSX
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)


BindingDB Entry DOI: 10.7270/Q23T9FSX
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)


BindingDB Entry DOI: 10.7270/Q23T9FSX
More data for this
Ligand-Target Pair
Glycine-1-transporter


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)


BindingDB Entry DOI: 10.7270/Q23T9FSX
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)


BindingDB Entry DOI: 10.7270/Q23T9FSX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)


BindingDB Entry DOI: 10.7270/Q23T9FSX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)


BindingDB Entry DOI: 10.7270/Q23T9FSX
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)


BindingDB Entry DOI: 10.7270/Q23T9FSX
More data for this
Ligand-Target Pair
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