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Compile Data Set for Download or QSAR

Found 86 hits Enz. Inhib. hit(s) with all data for entry = 50036585   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 4


(RAT)
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.150n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056418
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-azepan-1...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCCC1
Show InChI InChI=1S/C16H23ClN2O3/c1-21-15-11-14(18)13(17)10-12(15)16(20)22-9-8-19-6-4-2-3-5-7-19/h10-11H,2-9,18H2,1H3
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0.920n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056406
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(3-methy...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCC(C)C1
Show InChI InChI=1S/C16H23ClN2O3/c1-11-4-3-5-19(10-11)6-7-22-16(20)12-8-13(17)14(18)9-15(12)21-2/h8-9,11H,3-7,10,18H2,1-2H3
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0.930n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056403
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(3-hydro...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCC(O)C1
Show InChI InChI=1S/C15H21ClN2O4/c1-21-14-8-13(17)12(16)7-11(14)15(20)22-6-5-18-4-2-3-10(19)9-18/h7-8,10,19H,2-6,9,17H2,1H3
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1n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM29526
PNG
(2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoa...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1
Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3
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1.10n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056416
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-acety...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(C)=O
Show InChI InChI=1S/C17H24ClN3O4/c1-11(22)20-12-3-5-21(6-4-12)7-8-25-17(23)13-9-14(18)15(19)10-16(13)24-2/h9-10,12H,3-8,19H2,1-2H3,(H,20,22)
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1.10n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056424
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-hydro...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(O)CC1
Show InChI InChI=1S/C15H21ClN2O4/c1-21-14-9-13(17)12(16)8-11(14)15(20)22-7-6-18-4-2-10(19)3-5-18/h8-10,19H,2-7,17H2,1H3
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1.40n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056411
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-carba...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(N)=O
Show InChI InChI=1S/C16H22ClN3O4/c1-23-14-9-13(18)12(17)8-11(14)16(22)24-7-6-20-4-2-10(3-5-20)15(19)21/h8-10H,2-7,18H2,1H3,(H2,19,21)
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1.40n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056397
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(3,3-dim...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCC(C)(C)C1
Show InChI InChI=1S/C17H25ClN2O3/c1-17(2)5-4-6-20(11-17)7-8-23-16(21)12-9-13(18)14(19)10-15(12)22-3/h9-10H,4-8,11,19H2,1-3H3
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1.70n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056403
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(3-hydro...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCC(O)C1
Show InChI InChI=1S/C15H21ClN2O4/c1-21-14-8-13(17)12(16)7-11(14)15(20)22-6-5-18-4-2-3-10(19)9-18/h7-8,10,19H,2-6,9,17H2,1H3
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2n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056392
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(3,5-dim...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CC(C)CC(C)C1
Show InChI InChI=1S/C17H25ClN2O3/c1-11-6-12(2)10-20(9-11)4-5-23-17(21)13-7-14(18)15(19)8-16(13)22-3/h7-8,11-12H,4-6,9-10,19H2,1-3H3
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2.30n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056392
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(3,5-dim...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CC(C)CC(C)C1
Show InChI InChI=1S/C17H25ClN2O3/c1-11-6-12(2)10-20(9-11)4-5-23-17(21)13-7-14(18)15(19)8-16(13)22-3/h7-8,11-12H,4-6,9-10,19H2,1-3H3
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2.32n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056405
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-methy...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(C)CC1
Show InChI InChI=1S/C16H23ClN2O3/c1-11-3-5-19(6-4-11)7-8-22-16(20)12-9-13(17)14(18)10-15(12)21-2/h9-11H,3-8,18H2,1-2H3
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4.10n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056412
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-pyrrolid...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCC1
Show InChI InChI=1S/C14H19ClN2O3/c1-19-13-9-12(16)11(15)8-10(13)14(18)20-7-6-17-4-2-3-5-17/h8-9H,2-7,16H2,1H3
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5.40n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056401
PNG
(2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...)
Show SMILES CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3
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5.5n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056402
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(3-aza-b...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CC2CCC(CC2)C1 |TLB:14:15:21.22:18.19,(7.65,-14.52,;7.65,-12.98,;6.3,-12.21,;4.96,-12.98,;3.63,-12.21,;2.29,-12.98,;3.63,-10.66,;2.3,-9.89,;4.96,-9.87,;6.3,-10.65,;7.63,-9.87,;7.63,-8.33,;8.98,-10.64,;10.31,-9.87,;11.65,-10.62,;12.98,-9.85,;15.15,-9.38,;15.16,-10.46,;13.44,-11.25,;12.67,-12.46,;14.32,-11.58,;15.91,-12.53,;16.7,-11.39,;14.32,-10.2,)|
Show InChI InChI=1S/C18H25ClN2O3/c1-23-17-9-16(20)15(19)8-14(17)18(22)24-7-6-21-10-12-2-3-13(11-21)5-4-12/h8-9,12-13H,2-7,10-11,20H2,1H3
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5.5n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056409
PNG
(1-[2-(4-Amino-5-chloro-2-methoxy-benzoyloxy)-ethyl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCC[N+]12CCC(CC1)CC2
Show InChI InChI=1S/C17H23ClN2O3/c1-22-16-11-15(19)14(18)10-13(16)17(21)23-9-8-20-5-2-12(3-6-20)4-7-20/h10-12H,2-9H2,1H3,(H-,19,21)/p+1
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6n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056395
PNG
(1-[2-(4-Amino-5-chloro-2-methoxy-benzoyloxy)-ethyl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCC[n+]1ccccc1
Show InChI InChI=1S/C15H15ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h2-6,9-10H,7-8H2,1H3,(H-,17,19)/p+1
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6.20n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056422
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(2,6-dim...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CC(C)OC(C)C1
Show InChI InChI=1S/C16H23ClN2O4/c1-10-8-19(9-11(2)23-10)4-5-22-16(20)12-6-13(17)14(18)7-15(12)21-3/h6-7,10-11H,4-5,8-9,18H2,1-3H3
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6.30n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056420
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-benzo...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H25ClN2O4/c1-28-20-14-19(24)18(23)13-17(20)22(27)29-12-11-25-9-7-16(8-10-25)21(26)15-5-3-2-4-6-15/h2-6,13-14,16H,7-12,24H2,1H3
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7.60n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056398
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(2-methy...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1C
Show InChI InChI=1S/C16H23ClN2O3/c1-11-5-3-4-6-19(11)7-8-22-16(20)12-9-13(17)14(18)10-15(12)21-2/h9-11H,3-8,18H2,1-2H3
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7.80n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056413
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(3,6-dih...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC=CC1 |c:19|
Show InChI InChI=1S/C15H19ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h2-3,9-10H,4-8,17H2,1H3
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9.10n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056400
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(8-aza-b...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1C2CCC1CCC2 |THB:14:15:17.18:21.22.20|
Show InChI InChI=1S/C17H23ClN2O3/c1-22-16-10-15(19)14(18)9-13(16)17(21)23-8-7-20-11-3-2-4-12(20)6-5-11/h9-12H,2-8,19H2,1H3
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9.30n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056415
PNG
(2-piperidinopropyl 4-amino-5-chloro-2-methoxybenzo...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCCCC1
Show InChI InChI=1S/C16H23ClN2O3/c1-21-15-11-14(18)13(17)10-12(15)16(20)22-9-5-8-19-6-3-2-4-7-19/h10-11H,2-9,18H2,1H3
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28n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056414
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-morpholi...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCOCC1
Show InChI InChI=1S/C14H19ClN2O4/c1-19-13-9-12(16)11(15)8-10(13)14(18)21-7-4-17-2-5-20-6-3-17/h8-9H,2-7,16H2,1H3
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36n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056423
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(2,6-dim...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1C(C)CCCC1C
Show InChI InChI=1S/C17H25ClN2O3/c1-11-5-4-6-12(2)20(11)7-8-23-17(21)13-9-14(18)15(19)10-16(13)22-3/h9-12H,4-8,19H2,1-3H3
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40n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056407
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-dimethyl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN(C)C
Show InChI InChI=1S/C12H17ClN2O3/c1-15(2)4-5-18-12(16)8-6-9(13)10(14)7-11(8)17-3/h6-7H,4-5,14H2,1-3H3
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47n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM82519
PNG
(4-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicycl...)
Show SMILES [H]C12CCC([H])(CC(C1)NC(=O)c1cc(Cl)c(N)cc1OC)N2C
Show InChI InChI=1S/C16H22ClN3O2/c1-20-10-3-4-11(20)6-9(5-10)19-16(21)12-7-13(17)14(18)8-15(12)22-2/h7-11H,3-6,18H2,1-2H3,(H,19,21)
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49n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056421
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 8-methyl-8...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OC1CC2CCC(C1)N2C |TLB:12:13:20:16.17|
Show InChI InChI=1S/C16H21ClN2O3/c1-19-9-3-4-10(19)6-11(5-9)22-16(20)12-7-13(17)14(18)8-15(12)21-2/h7-11H,3-6,18H2,1-2H3
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64n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056396
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid (S)-(1-aza...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)O[C@@H]1CN2CCC1CC2 |wU:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)|
Show InChI InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)15(19)21-14-8-18-4-2-9(14)3-5-18/h6-7,9,14H,2-5,8,17H2,1H3/t14-/m1/s1
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91n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056417
PNG
(4-Amino-5-chloro-N-[2-(3,5-dimethyl-piperidin-1-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCCN1CC(C)CC(C)C1
Show InChI InChI=1S/C17H26ClN3O2/c1-11-6-12(2)10-21(9-11)5-4-20-17(22)13-7-14(18)15(19)8-16(13)23-3/h7-8,11-12H,4-6,9-10,19H2,1-3H3,(H,20,22)
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103n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056410
PNG
(4-Amino-5-chloro-2-methoxy-N-(2-piperidin-1-yl-eth...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C15H22ClN3O2/c1-21-14-10-13(17)12(16)9-11(14)15(20)18-5-8-19-6-3-2-4-7-19/h9-10H,2-8,17H2,1H3,(H,18,20)
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135n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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187n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056404
PNG
(3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-car...)
Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:13:14:21:17.18|
Show InChI InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)
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257n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056419
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wD:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1
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383n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056399
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid (R)-(1-aza...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)O[C@H]1CN2CCC1CC2 |wD:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)|
Show InChI InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)15(19)21-14-8-18-4-2-9(14)3-5-18/h6-7,9,14H,2-5,8,17H2,1H3/t14-/m0/s1
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488n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM29526
PNG
(2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoa...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1
Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3
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730n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity was measured on 5-hydroxytryptamine 3 receptor using [3H]-BRL 43694 as radioligand in rat posterior cortex.


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50369327
PNG
(CHEMBL76737)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCCN(C)C
Show InChI InChI=1S/C12H18ClN3O2/c1-16(2)5-4-15-12(17)8-6-9(13)10(14)7-11(8)18-3/h6-7H,4-5,14H2,1-3H3,(H,15,17)
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>1.00E+3n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50056403
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(3-hydro...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCC(O)C1
Show InChI InChI=1S/C15H21ClN2O4/c1-21-14-8-13(17)12(16)7-11(14)15(20)22-6-5-18-4-2-3-10(19)9-18/h7-8,10,19H,2-6,9,17H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity was measured on 5-hydroxytryptamine 3 receptor using [3H]-BRL 43694 as radioligand in rat posterior cortex


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50056392
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(3,5-dim...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CC(C)CC(C)C1
Show InChI InChI=1S/C17H25ClN2O3/c1-11-6-12(2)10-20(9-11)4-5-23-17(21)13-7-14(18)15(19)8-16(13)22-3/h7-8,11-12H,4-6,9-10,19H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity was measured on 5-hydroxytryptamine 3 receptor using [3H]-BRL 43694 as radioligand in rat posterior cortex.


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50056392
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(3,5-dim...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CC(C)CC(C)C1
Show InChI InChI=1S/C17H25ClN2O3/c1-11-6-12(2)10-20(9-11)4-5-23-17(21)13-7-14(18)15(19)8-16(13)22-3/h7-8,11-12H,4-6,9-10,19H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity was measured on 5-hydroxytryptamine 3 receptor using [3H]-BRL 43694 as radioligand in rat posterior cortex.


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056394
PNG
(4-Amino-5-chloro-2-methoxy-N-methyl-N-(2-piperidin...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N(C)CCN1CCCCC1
Show InChI InChI=1S/C16H24ClN3O2/c1-19(8-9-20-6-4-3-5-7-20)16(21)12-10-13(17)14(18)11-15(12)22-2/h10-11H,3-9,18H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50056406
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(3-methy...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCC(C)C1
Show InChI InChI=1S/C16H23ClN2O3/c1-11-4-3-5-19(10-11)6-7-22-16(20)12-8-13(17)14(18)9-15(12)21-2/h8-9,11H,3-7,10,18H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity was measured on 5-hydroxytryptamine 3 receptor using [3H]-BRL 43694 as radioligand in rat posterior cortex.


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM48320
PNG
(4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...)
Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
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>1.00E+3n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50031475
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CN2CCC1CC2 |wU:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m0/s1
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1.51E+3n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50056392
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(3,5-dim...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CC(C)CC(C)C1
Show InChI InChI=1S/C17H25ClN2O3/c1-11-6-12(2)10-20(9-11)4-5-23-17(21)13-7-14(18)15(19)8-16(13)22-3/h7-8,11-12H,4-6,9-10,19H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
5-hydroxytryptamine 4 receptor antagonist activity, concentration which gave 50% reduction of the 5-HT-induced contractions in the guinea pig ileum


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
5-hydroxytryptamine 4 receptor antagonist activity, concentration which gave 50% reduction of the 5-HT-induced contractions in the guinea pig ileum


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50056399
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid (R)-(1-aza...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)O[C@H]1CN2CCC1CC2 |wD:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)|
Show InChI InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)15(19)21-14-8-18-4-2-9(14)3-5-18/h6-7,9,14H,2-5,8,17H2,1H3/t14-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
5-hydroxytryptamine 4 receptor antagonist activity, concentration which gave 50% reduction of the 5-HT-induced contractions in the guinea pig ileum


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50056401
PNG
(2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...)
Show SMILES CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3
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n/an/a 77n/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
5-hydroxytryptamine 4 receptor antagonist activity, concentration which gave 50% reduction of the 5-HT-induced contractions in the guinea pig ileum


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50056393
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pheny...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H24ClN3O3/c1-26-19-14-18(22)17(21)13-16(19)20(25)27-12-11-23-7-9-24(10-8-23)15-5-3-2-4-6-15/h2-6,13-14H,7-12,22H2,1H3
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n/an/a 100n/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
5-hydroxytryptamine 4 receptor antagonist activity, concentration which gave 50% reduction of the 5-HT-induced contractions in the guinea pig ileum


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
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