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Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'ward' and Initial = 'tj'   
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 |c:5,t:14|
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
KEGG

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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)


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 |c:5,t:14|
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)


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 |c:5,t:14|
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
KEGG

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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)


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 |c:5,t:17|
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)


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 |c:21,t:12|
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
KEGG

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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)


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 |c:5,t:14|
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)


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 |c:20,t:11|
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)


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 |c:22,t:12|
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)


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)


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 |c:5,t:14|
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
KEGG

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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)


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 |c:5,t:14|
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
KEGG

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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)


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 |c:22,t:12|
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)


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 |c:22,t:12|
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
KEGG

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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)


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 |c:19,t:10|
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)


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 |c:5,t:16|
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)


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 |c:5,t:14|
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)


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 |c:5,t:14|
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)


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 |c:5,t:14|
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)


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 |c:5,t:14|
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)


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 |c:20,t:11|
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)


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 |c:5,t:18|
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)


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 |c:5,t:17|
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)


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 |c:20,t:11|
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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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)


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 |c:5,t:8|
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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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)


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 Cl.Clc1cc(Cl)cc(c1)C(=O)NC(=O)NC1CN2CCC1CC2 |THB:14:15:19.18:21.22,(9.87,,;2.37,6.39,;2.6,4.87,;4.03,4.31,;4.26,2.78,;5.69,2.22,;3.06,1.82,;1.62,2.39,;1.39,3.91,;.42,1.43,;-1.02,1.99,;.65,-.09,;-.56,-1.05,;-1.99,-.49,;-.33,-2.58,;-1.53,-3.54,;-1.25,-4.96,;-2.65,-4.31,;-4.21,-4.98,;-4.41,-3.57,;-2.91,-2.92,;-2.84,-1.24,;-2.39,-2.37,)|
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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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)


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 OC(=O)\C=C\C(O)=O.COc1cccc(OC)c1C(=O)NC(=O)NC1CN2CCC1CC2 |(12.65,-4.91,;11.12,-5.17,;10.15,-3.98,;10.36,-6.5,;8.82,-6.5,;8.05,-7.83,;8.82,-9.17,;6.51,-7.83,;-6.84,-2.63,;-5.51,-3.37,;-5.5,-4.91,;-6.82,-5.68,;-6.82,-7.24,;-5.5,-8.01,;-4.16,-7.24,;-2.84,-8.01,;-2.84,-9.54,;-4.16,-5.68,;-2.84,-4.91,;-2.85,-3.37,;-1.51,-5.67,;-.18,-4.9,;-.18,-3.36,;1.16,-5.65,;2.48,-4.88,;3.88,-5.68,;5.26,-4.88,;3.04,-4.58,;4.17,-3.66,;2.48,-3.25,;3.88,-2.44,;5.26,-3.25,)|
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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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)


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 OC(=O)C(O)=O.CC(C)CCOc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:23:24:31:27.28|
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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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)


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 Cl.CN1C2CCC1CC(C2)NC(=O)NC(=O)c1ccccc1O |THB:10:8:2:4.5|
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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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)


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 OC(=O)C(O)=O.COc1ccccc1C(=O)NC(=O)OC1CN2CCC1CC2 |(16.92,-15.69,;16.14,-14.38,;16.88,-13.04,;14.61,-14.41,;13.87,-15.76,;13.8,-13.1,;-1.85,-12.78,;-.51,-13.53,;-.5,-15.06,;-1.83,-15.83,;-1.83,-17.39,;-.5,-18.16,;.83,-17.39,;.83,-15.83,;2.16,-15.06,;2.15,-13.53,;3.49,-15.82,;4.82,-15.05,;4.82,-13.52,;6.16,-15.8,;7.47,-15.03,;8.87,-15.83,;10.26,-15.03,;10.26,-13.4,;8.87,-12.6,;7.47,-13.4,;9.17,-13.82,;8.04,-14.73,)|
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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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)


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 OC(=O)\C=C/C(O)=O.COc1ccc(cc1)C(=O)NC(=O)NC1CN2CCC1CC2 |(16,-13.62,;16.77,-12.28,;18.3,-12.28,;16,-10.97,;14.48,-10.97,;13.71,-12.28,;14.48,-13.62,;12.18,-12.28,;-5.13,-14.44,;-3.81,-15.21,;-2.47,-14.44,;-1.17,-15.21,;.17,-14.44,;.17,-12.9,;-1.17,-12.14,;-2.47,-12.9,;1.48,-12.12,;1.48,-10.59,;2.81,-12.88,;4.12,-12.12,;4.12,-10.59,;5.46,-12.87,;6.79,-12.11,;8.17,-12.9,;9.56,-12.11,;7.34,-11.8,;8.47,-10.9,;6.79,-10.48,;8.17,-9.69,;9.56,-10.48,)|
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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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)


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 Cl.COc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:14:15:22:18.19|
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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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)


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 Cl.COc1cc(N)ccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:15:16:23:19.20|
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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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)


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 |r|
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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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)


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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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)


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 OC(=O)\C=C/C(O)=O.CN1C2CCC1CC(C2)NC(=O)NC(=O)c1ccccc1OCC1CC1 |THB:17:15:9:11.12|
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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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)


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)


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 Cl.CCCCOc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:17:18:25:21.22|
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)


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 Cl.COc1cc(N)c(Cl)cc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:16:17:24:20.21|
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)


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 |TLB:13:14:21:17.18|
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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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)


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 OC(=O)\C=C/C(O)=O.CC(C)Oc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:23:24:31:27.28|
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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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)


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 OC(=O)\C=C\C(O)=O.CC(C)COc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:24:25:32:28.29|
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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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)


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 OC(=O)CCC(O)=O.Fc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2 |(16.6,-16.95,;17.37,-15.63,;18.91,-15.63,;16.6,-14.3,;15.06,-14.3,;14.3,-15.63,;15.06,-16.95,;12.76,-15.63,;-.67,-13.94,;-.66,-15.48,;-1.99,-16.25,;-1.99,-17.79,;-.66,-18.56,;.67,-17.79,;.67,-16.25,;2,-15.47,;1.99,-13.93,;3.33,-16.22,;4.65,-15.45,;4.65,-13.91,;6,-16.22,;7.31,-15.45,;8.71,-16.25,;10.1,-15.45,;10.1,-13.82,;8.71,-13.01,;7.31,-13.82,;9.01,-14.23,;7.88,-15.13,)|
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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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)


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 Cl.CCCCCOc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:18:19:26:22.23|
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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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)


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 Cl.COc1ccc(Cl)cc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:15:16:23:19.20|
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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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)


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 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)|
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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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)


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 OC(=O)\C=C\C(O)=O.CCOc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:22:23:30:26.27|
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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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)


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 OC(=O)\C=C\C(O)=O.COc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2 |(10.8,-5.36,;9.3,-5.62,;8.31,-4.43,;8.53,-6.95,;6.99,-6.95,;6.22,-8.27,;6.99,-9.61,;4.69,-8.27,;-8.23,-3.56,;-6.91,-4.3,;-6.89,-5.84,;-8.22,-6.61,;-8.22,-8.17,;-6.89,-8.94,;-5.56,-8.17,;-5.56,-6.61,;-4.23,-5.84,;-4.25,-4.3,;-2.9,-6.6,;-1.57,-5.83,;-1.57,-4.29,;-.22,-6.58,;1.1,-5.81,;2.48,-6.61,;3.89,-5.81,;3.89,-4.17,;2.48,-3.37,;1.1,-4.17,;2.8,-4.59,;1.64,-5.51,)|
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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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)


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 OC(=O)C(O)=O.COc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:19:20:27:23.24|
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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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)


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 OC(=O)\C=C\C(O)=O.Cc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2 |(10.67,-3.2,;9.16,-3.45,;8.19,-2.27,;8.39,-4.78,;6.86,-4.78,;6.1,-6.1,;6.86,-7.43,;4.57,-6.1,;-8.34,-2.24,;-8.34,-3.77,;-9.64,-4.54,;-9.64,-6.09,;-8.34,-6.85,;-7,-6.09,;-7,-4.54,;-5.69,-3.77,;-5.69,-2.24,;-4.35,-4.52,;-3.05,-3.76,;-3.05,-2.23,;-1.71,-4.5,;-.38,-3.74,;1,-4.54,;2.39,-3.74,;2.39,-2.11,;1,-1.32,;-.38,-2.11,;1.31,-2.53,;.17,-3.44,)|
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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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)


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 OC(=O)C(O)=O.CCCOc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:21:22:29:25.26|
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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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)


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