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Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'bradley' and Initial = 'g'   
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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50014917
PNG
(4-(2-Chloro-phenyl)-2-imidazol-1-ylmethyl-6-methyl...)
Show SMILES CCOC(=O)C1=C(Cn2ccnc2)N=C(C)C(C1c1ccccc1Cl)C(=O)OC
Show InChI InChI=1S/C21H22ClN3O4/c1-4-29-21(27)19-16(11-25-10-9-23-12-25)24-13(2)17(20(26)28-3)18(19)14-7-5-6-8-15(14)22/h5-10,12,17-18H,4,11H2,1-3H3
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n/an/a 500n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50368043
PNG
(CHEMBL1203671)
Show SMILES CCOC(=O)C1=C(Cn2ccnc2)N=C(Cn2ccnc2)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C24H24N6O6/c1-3-36-24(32)22-19(13-29-10-8-26-15-29)27-18(12-28-9-7-25-14-28)21(23(31)35-2)20(22)16-5-4-6-17(11-16)30(33)34/h4-11,14-15,20-21H,3,12-13H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50014907
PNG
(4-(2-Difluoromethoxy-phenyl)-2-imidazol-1-ylmethyl...)
Show SMILES CCOC(=O)C1=C(Cn2ccnc2)N=C(C)C(C1c1ccccc1OC(F)F)C(=O)OC
Show InChI InChI=1S/C22H23F2N3O5/c1-4-31-21(29)19-15(11-27-10-9-25-12-27)26-13(2)17(20(28)30-3)18(19)14-7-5-6-8-16(14)32-22(23)24/h5-10,12,17-18,22H,4,11H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthetase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50368045
PNG
(CHEMBL1203652)
Show SMILES CCOC(=O)C1=C(COCc2ccncc2)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C24H25N3O7/c1-4-34-24(29)22-19(14-33-13-16-8-10-25-11-9-16)26-15(2)20(23(28)32-3)21(22)17-6-5-7-18(12-17)27(30)31/h5-12,20-21H,4,13-14H2,1-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthetase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50368036
PNG
(CHEMBL1203682)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(Cn2ccnc2)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H24N4O6/c1-4-31-21(27)18-14(3)24-17(12-25-10-9-23-13-25)20(22(28)32-5-2)19(18)15-7-6-8-16(11-15)26(29)30/h6-11,13,18-19H,4-5,12H2,1-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthetase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50368040
PNG
(CHEMBL1203686)
Show SMILES CCOC(=O)C1=C(Cn2ccnc2)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C
Show InChI InChI=1S/C23H26N4O6/c1-5-32-22(28)21-18(12-26-10-9-24-13-26)25-15(4)19(23(29)33-14(2)3)20(21)16-7-6-8-17(11-16)27(30)31/h6-11,13-14,19-20H,5,12H2,1-4H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthetase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50368033
PNG
(CHEMBL1203626)
Show SMILES CCOC(=O)C1C(C(C(=O)OC)=C(Cn2ccnc2)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H22N4O6/c1-4-31-21(27)17-13(2)23-16(11-24-9-8-22-12-24)19(20(26)30-3)18(17)14-6-5-7-15(10-14)25(28)29/h5-10,12,17-18H,4,11H2,1-3H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50368037
PNG
(CHEMBL1744226)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(CCn2ccnc2)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C23H26N4O6/c1-4-32-22(28)19-15(3)25-17(10-12-26-13-11-24-14-26)21(23(29)33-5-2)20(19)16-8-6-7-9-18(16)27(30)31/h6-9,11,13-14,19-20H,4-5,10,12H2,1-3H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50014918
PNG
(2-Imidazol-1-ylmethyl-6-methyl-4-(2-nitro-phenyl)-...)
Show SMILES CCOC(=O)C1=C(Cn2ccnc2)N=C(C)C(C1c1ccccc1[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C21H22N4O6/c1-4-31-21(27)19-15(11-24-10-9-22-12-24)23-13(2)17(20(26)30-3)18(19)14-7-5-6-8-16(14)25(28)29/h5-10,12,17-18H,4,11H2,1-3H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthetase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50368034
PNG
(CHEMBL1203674)
Show SMILES CCOC(=O)C1=C(Cn2ccnc2)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C21H22N4O6/c1-4-31-21(27)19-16(11-24-9-8-22-12-24)23-13(2)17(20(26)30-3)18(19)14-6-5-7-15(10-14)25(28)29/h5-10,12,17-18H,4,11H2,1-3H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthetase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50368032
PNG
(CHEMBL1203662)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(CCn2ccnc2)N=C1CCn1ccnc1)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C27H30N6O6/c1-3-38-26(34)24-21(8-12-31-14-10-28-17-31)30-22(9-13-32-15-11-29-18-32)25(27(35)39-4-2)23(24)19-6-5-7-20(16-19)33(36)37/h5-7,10-11,14-18,23-24H,3-4,8-9,12-13H2,1-2H3
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n/an/a 5.30E+3n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50368031
PNG
(CHEMBL1203654)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(CCn2ccnc2)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H26N4O6/c1-4-32-22(28)19-15(3)25-18(9-11-26-12-10-24-14-26)21(23(29)33-5-2)20(19)16-7-6-8-17(13-16)27(30)31/h6-8,10,12-14,19-20H,4-5,9,11H2,1-3H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthetase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50368042
PNG
(CHEMBL1203687)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(Cn2ccnc2)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H20N4O6/c1-12-16(19(25)29-2)17(13-5-4-6-14(9-13)24(27)28)18(20(26)30-3)15(22-12)10-23-8-7-21-11-23/h4-9,11,16-17H,10H2,1-3H3
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n/an/a 1.18E+4n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthetase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50368041
PNG
(CHEMBL1203653)
Show SMILES CCOC(=O)C1=C(COc2ccncc2)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C23H23N3O7/c1-4-32-23(28)21-18(13-33-17-8-10-24-11-9-17)25-14(2)19(22(27)31-3)20(21)15-6-5-7-16(12-15)26(29)30/h5-12,19-20H,4,13H2,1-3H3
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n/an/a 1.28E+4n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthetase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50014919
PNG
(4-(2,3-Dichloro-phenyl)-2-imidazol-1-ylmethyl-6-me...)
Show SMILES CCOC(=O)C1=C(Cn2ccnc2)N=C(C)C(C1c1cccc(Cl)c1Cl)C(=O)OC
Show InChI InChI=1S/C21H21Cl2N3O4/c1-4-30-21(28)18-15(10-26-9-8-24-11-26)25-12(2)16(20(27)29-3)17(18)13-6-5-7-14(22)19(13)23/h5-9,11,16-17H,4,10H2,1-3H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthetase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50014908
PNG
(4-(2-Chloro-3-trifluoromethyl-phenyl)-2-imidazol-1...)
Show SMILES CCOC(=O)C1=C(Cn2ccnc2)N=C(C)C(C1c1cccc(c1Cl)C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C22H21ClF3N3O4/c1-4-33-21(31)18-15(10-29-9-8-27-11-29)28-12(2)16(20(30)32-3)17(18)13-6-5-7-14(19(13)23)22(24,25)26/h5-9,11,16-17H,4,10H2,1-3H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthetase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50368039
PNG
(CHEMBL1202293)
Show SMILES CCOC(=O)C1=C(Cn2ccnc2)N=C(C)C(C1c1c(F)cccc1Cl)C(=O)OC
Show InChI InChI=1S/C21H21ClFN3O4/c1-4-30-21(28)18-15(10-26-9-8-24-11-26)25-12(2)16(20(27)29-3)19(18)17-13(22)6-5-7-14(17)23/h5-9,11,16,19H,4,10H2,1-3H3
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n/an/a 1.95E+4n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50368044
PNG
(CHEMBL1203649)
Show SMILES CCOC(=O)C1=C(Cn2ccnc2)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H28N4O6/c1-6-33-22(29)21-18(13-27-11-10-25-14-27)26-15(2)19(23(30)34-24(3,4)5)20(21)16-8-7-9-17(12-16)28(31)32/h7-12,14,19-20H,6,13H2,1-5H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthetase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50014902
PNG
(4-(2-Difluoromethoxy-phenyl)-2-imidazol-1-ylmethyl...)
Show SMILES CCOC(=O)C1C(C(C(=O)OC)=C(Cn2ccnc2)N=C1C)c1ccccc1OC(F)F
Show InChI InChI=1S/C22H23F2N3O5/c1-4-31-21(29)17-13(2)26-15(11-27-10-9-25-12-27)19(20(28)30-3)18(17)14-7-5-6-8-16(14)32-22(23)24/h5-10,12,17-18,22H,4,11H2,1-3H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50368038
PNG
(CHEMBL1203655)
Show SMILES CCOC(=O)C1=C(COCCc2ccncc2)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C25H27N3O7/c1-4-35-25(30)23-20(15-34-13-10-17-8-11-26-12-9-17)27-16(2)21(24(29)33-3)22(23)18-6-5-7-19(14-18)28(31)32/h5-9,11-12,14,21-22H,4,10,13,15H2,1-3H3
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n/an/a 7.20E+4n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthetase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50368035
PNG
(CHEMBL1203656)
Show SMILES CCOC(=O)C1=C(COCCn2ccnc2)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C23H26N4O7/c1-4-34-23(29)21-18(13-33-11-10-26-9-8-24-14-26)25-15(2)19(22(28)32-3)20(21)16-6-5-7-17(12-16)27(30)31/h5-9,12,14,19-20H,4,10-11,13H2,1-3H3
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n/an/a 1.15E+5n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthetase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50014915
PNG
(4-(2-Chloro-3-trifluoromethyl-phenyl)-2-imidazol-1...)
Show SMILES CCOC(=O)C1C(C(C(=O)OC)=C(Cn2ccnc2)N=C1C)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3N3O4/c1-4-33-21(31)16-12(2)28-15(10-29-9-8-27-11-29)18(20(30)32-3)17(16)13-6-5-7-14(19(13)23)22(24,25)26/h5-9,11,16-17H,4,10H2,1-3H3
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n/an/a 1.25E+5n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50318494
PNG
(3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3
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n/an/a 1.00E+6n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


Article DOI: 10.1021/jm00164a028
BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455976
PNG
(CHEMBL544476)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)NC(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C15H17Cl2N3O2.ClH/c16-11-5-10(6-12(17)7-11)14(21)19-15(22)18-13-8-20-3-1-9(13)2-4-20;/h5-7,9,13H,1-4,8H2,(H2,18,19,21,22);1H
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n/an/an/a 200n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455977
PNG
(CHEMBL39426)
Show SMILES COc1cccc(OC)c1C(=O)NC(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C17H23N3O4.C4H4O4/c1-23-13-4-3-5-14(24-2)15(13)16(21)19-17(22)18-12-10-20-8-6-11(12)7-9-20;5-3(6)1-2-4(7)8/h3-5,11-12H,6-10H2,1-2H3,(H2,18,19,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+
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n/an/an/a>316n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455978
PNG
(CHEMBL39934)
Show SMILES CC(C)CCOc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C
Show InChI InChI=1S/C21H31N3O3.C2H2O4/c1-14(2)10-11-27-19-7-5-4-6-18(19)20(25)23-21(26)22-15-12-16-8-9-17(13-15)24(16)3;3-1(4)2(5)6/h4-7,14-17H,8-13H2,1-3H3,(H2,22,23,25,26);(H,3,4)(H,5,6)
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n/an/an/a 6.30n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455979
PNG
(CHEMBL543769)
Show SMILES CN1C2CCC1CC(C2)NC(=O)NC(=O)c1ccccc1O
Show InChI InChI=1S/C16H21N3O3.ClH/c1-19-11-6-7-12(19)9-10(8-11)17-16(22)18-15(21)13-4-2-3-5-14(13)20;/h2-5,10-12,20H,6-9H2,1H3,(H2,17,18,21,22);1H
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n/an/an/a 13n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455980
PNG
(CHEMBL37419)
Show SMILES COc1ccccc1C(=O)NC(=O)OC1CN2CCC1CC2
Show InChI InChI=1S/C16H20N2O4.C2H2O4/c1-21-13-5-3-2-4-12(13)15(19)17-16(20)22-14-10-18-8-6-11(14)7-9-18;3-1(4)2(5)6/h2-5,11,14H,6-10H2,1H3,(H,17,19,20);(H,3,4)(H,5,6)
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n/an/an/a 36n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455975
PNG
(CHEMBL36552)
Show SMILES COc1ccc(cc1)C(=O)NC(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C16H21N3O3.C4H4O4/c1-22-13-4-2-12(3-5-13)15(20)18-16(21)17-14-10-19-8-6-11(14)7-9-19;5-3(6)1-2-4(7)8/h2-5,11,14H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1-
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n/an/an/a>316n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455974
PNG
(CHEMBL544244)
Show SMILES COc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C
Show InChI InChI=1S/C17H23N3O3.ClH/c1-20-12-7-8-13(20)10-11(9-12)18-17(22)19-16(21)14-5-3-4-6-15(14)23-2;/h3-6,11-13H,7-10H2,1-2H3,(H2,18,19,21,22);1H
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n/an/an/a 2.5n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455973
PNG
(CHEMBL555557)
Show SMILES COc1cc(N)ccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C
Show InChI InChI=1S/C17H24N4O3.ClH/c1-21-12-4-5-13(21)9-11(8-12)19-17(23)20-16(22)14-6-3-10(18)7-15(14)24-2;/h3,6-7,11-13H,4-5,8-9,18H2,1-2H3,(H2,19,20,22,23);1H
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n/an/an/a 158n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM82561
PNG
(CAS_40796-97-2 | TROPANYL 3,5-DICHLOROBENZOATE | T...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14+
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n/an/an/a 16n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455972
PNG
(CHEMBL286676)
Show SMILES CN1CCC(CC1)OC(=O)NC(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H16Cl2N2O3/c1-18-4-2-12(3-5-18)21-14(20)17-13(19)9-6-10(15)8-11(16)7-9/h6-8,12H,2-5H2,1H3,(H,17,19,20)
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n/an/an/a 126n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455971
PNG
(CHEMBL289115)
Show SMILES CN1C2CCC1CC(C2)NC(=O)NC(=O)c1ccccc1OCC1CC1
Show InChI InChI=1S/C20H27N3O3.C4H4O4/c1-23-15-8-9-16(23)11-14(10-15)21-20(25)22-19(24)17-4-2-3-5-18(17)26-12-13-6-7-13;5-3(6)1-2-4(7)8/h2-5,13-16H,6-12H2,1H3,(H2,21,22,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-
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n/an/an/a 1.30n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455970
PNG
(CHEMBL544002)
Show SMILES CCCCOc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C
Show InChI InChI=1S/C20H29N3O3.ClH/c1-3-4-11-26-18-8-6-5-7-17(18)19(24)22-20(25)21-14-12-15-9-10-16(13-14)23(15)2;/h5-8,14-16H,3-4,9-13H2,1-2H3,(H2,21,22,24,25);1H
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455969
PNG
(CHEMBL544944)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC(=O)NC1CC2CCC(C1)N2C
Show InChI InChI=1S/C17H23ClN4O3.ClH/c1-22-10-3-4-11(22)6-9(5-10)20-17(24)21-16(23)12-7-13(18)14(19)8-15(12)25-2;/h7-11H,3-6,19H2,1-2H3,(H2,20,21,23,24);1H
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455968
PNG
(CHEMBL37416)
Show SMILES COc1cc(ccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C)[N+]([O-])=O
Show InChI InChI=1S/C17H22N4O5/c1-20-11-3-4-12(20)8-10(7-11)18-17(23)19-16(22)14-6-5-13(21(24)25)9-15(14)26-2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H2,18,19,22,23)
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n/an/an/a>100n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455967
PNG
(CHEMBL37239)
Show SMILES CC(C)Oc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C
Show InChI InChI=1S/C19H27N3O3.C4H4O4/c1-12(2)25-17-7-5-4-6-16(17)18(23)21-19(24)20-13-10-14-8-9-15(11-13)22(14)3;5-3(6)1-2-4(7)8/h4-7,12-15H,8-11H2,1-3H3,(H2,20,21,23,24);1-2H,(H,5,6)(H,7,8)/b;2-1-
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n/an/an/a 0.631n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455966
PNG
(CHEMBL39621)
Show SMILES CC(C)COc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C
Show InChI InChI=1S/C20H29N3O3.C4H4O4/c1-13(2)12-26-18-7-5-4-6-17(18)19(24)22-20(25)21-14-10-15-8-9-16(11-14)23(15)3;5-3(6)1-2-4(7)8/h4-7,13-16H,8-12H2,1-3H3,(H2,21,22,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1+
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n/an/an/a 3.20n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455965
PNG
(CHEMBL36796)
Show SMILES Fc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C15H18FN3O2.C4H6O4/c16-12-4-2-1-3-11(12)14(20)18-15(21)17-13-9-19-7-5-10(13)6-8-19;5-3(6)1-2-4(7)8/h1-4,10,13H,5-9H2,(H2,17,18,20,21);1-2H2,(H,5,6)(H,7,8)
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n/an/an/a>316n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455964
PNG
(CHEMBL542090)
Show SMILES CCCCCOc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C
Show InChI InChI=1S/C21H31N3O3.ClH/c1-3-4-7-12-27-19-9-6-5-8-18(19)20(25)23-21(26)22-15-13-16-10-11-17(14-15)24(16)2;/h5-6,8-9,15-17H,3-4,7,10-14H2,1-2H3,(H2,22,23,25,26);1H
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n/an/an/a 32n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455963
PNG
(CHEMBL544952)
Show SMILES COc1ccc(Cl)cc1C(=O)NC(=O)NC1CC2CCC(C1)N2C
Show InChI InChI=1S/C17H22ClN3O3.ClH/c1-21-12-4-5-13(21)9-11(8-12)19-17(23)20-16(22)14-7-10(18)3-6-15(14)24-2;/h3,6-7,11-13H,4-5,8-9H2,1-2H3,(H2,19,20,22,23);1H
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n/an/an/a 47n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2
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)
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n/an/an/a 0.794n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455962
PNG
(CHEMBL36157)
Show SMILES CCOc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C
Show InChI InChI=1S/C18H25N3O3.C4H4O4/c1-3-24-16-7-5-4-6-15(16)17(22)20-18(23)19-12-10-13-8-9-14(11-12)21(13)2;5-3(6)1-2-4(7)8/h4-7,12-14H,3,8-11H2,1-2H3,(H2,19,20,22,23);1-2H,(H,5,6)(H,7,8)/b;2-1+
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n/an/an/a 2n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455961
PNG
(CHEMBL37307)
Show SMILES COc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C16H21N3O3.C4H4O4/c1-22-14-5-3-2-4-12(14)15(20)18-16(21)17-13-10-19-8-6-11(13)7-9-19;5-3(6)1-2-4(7)8/h2-5,11,13H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+
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n/an/an/a 10n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455960
PNG
(CHEMBL288430)
Show SMILES COc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C
Show InChI InChI=1S/C17H23N3O3.C2H2O4/c1-20-12-7-8-13(20)10-11(9-12)18-17(22)19-16(21)14-5-3-4-6-15(14)23-2;3-1(4)2(5)6/h3-6,11-13H,7-10H2,1-2H3,(H2,18,19,21,22);(H,3,4)(H,5,6)
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n/an/an/a>32n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455959
PNG
(CHEMBL37257)
Show SMILES Cc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C16H21N3O2.C4H4O4/c1-11-4-2-3-5-13(11)15(20)18-16(21)17-14-10-19-8-6-12(14)7-9-19;5-3(6)1-2-4(7)8/h2-5,12,14H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+
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n/an/an/a 251n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455958
PNG
(CHEMBL39479)
Show SMILES CCCOc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C
Show InChI InChI=1S/C19H27N3O3.C2H2O4/c1-3-10-25-17-7-5-4-6-16(17)18(23)21-19(24)20-13-11-14-8-9-15(12-13)22(14)2;3-1(4)2(5)6/h4-7,13-15H,3,8-12H2,1-2H3,(H2,20,21,23,24);(H,3,4)(H,5,6)
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n/an/an/a 1.30n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
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