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Compile Data Set for Download or QSAR

Found 1031 hits of affinity data for UniProtKB/TrEMBL: P24557   
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-A synthase


(Homo sapiens (Human))
BDBM50188619
PNG
(1-(2-(p-toluidino)-5-nitrophenylsulfonyl)-3-tert-b...)
Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H22N4O5S/c1-12-5-7-13(8-6-12)19-15-10-9-14(22(24)25)11-16(15)28(26,27)21-17(23)20-18(2,3)4/h5-11,19H,1-4H3,(H2,20,21,23)
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1.10n/an/an/an/an/an/an/an/a



University of Li&eagrove;ge

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 293-301 (2005)


Article DOI: 10.1124/jpet.104.079301
BindingDB Entry DOI: 10.7270/Q2NV9GVJ
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50167939
PNG
(3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...)
Show SMILES c1ccccc1
Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
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2.10n/an/an/an/an/an/an/an/a



University of Li&eagrove;ge

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 293-301 (2005)


Article DOI: 10.1124/jpet.104.079301
BindingDB Entry DOI: 10.7270/Q2NV9GVJ
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50010960
PNG
((E)-7-Phenyl-7-pyridin-3-yl-hept-6-enoic acid | 7-...)
Show SMILES OC(=O)CCCC\C=C(/c1ccccc1)c1cccnc1
Show InChI InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11+
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n/an/a 0.890n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of TXB2 production by incubating prostaglandin H2 with human platelet microsomes.


Bioorg Med Chem Lett 12: 341-4 (2002)


BindingDB Entry DOI: 10.7270/Q2ST7P56
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026486
PNG
((Z)-7-Phenyl-7-pyridin-3-yl-hept-6-enoic acid | 7-...)
Show SMILES OC(=O)CCCC\C=C(\c1ccccc1)c1cccnc1
Show InChI InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11-
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n/an/a 0.900n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
Thromboxane A2 synthase inhibitory activity was measured from inhibition of thromboxane B2 production in human platelet microsomes


Bioorg Med Chem Lett 12: 1383-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MG7NT9
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026486
PNG
((Z)-7-Phenyl-7-pyridin-3-yl-hept-6-enoic acid | 7-...)
Show SMILES OC(=O)CCCC\C=C(\c1ccccc1)c1cccnc1
Show InChI InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11-
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n/an/a 0.900n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase (TXA2) in human platelet microsomes [reduced formation of TXB2 from prostaglandin H2(PGH2)]


Bioorg Med Chem Lett 12: 771-4 (2002)


BindingDB Entry DOI: 10.7270/Q23X85ZH
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50003784
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-[3-(4-methyl-p...)
Show SMILES Cc1ccncc1CCCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCC(O)=O
Show InChI InChI=1S/C23H31ClN2O4S/c1-18-14-16-25-17-20(18)7-4-6-19(8-13-23(27)28)5-2-3-15-26-31(29,30)22-11-9-21(24)10-12-22/h9-12,14,16-17,19,26H,2-8,13,15H2,1H3,(H,27,28)
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n/an/a 1n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of Thromboxane A2 synthase


J Med Chem 35: 4373-83 (1992)


BindingDB Entry DOI: 10.7270/Q2F47N3W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50110458
PNG
(5-(Phenyl-pyridin-3-yl-methyleneaminooxy)-pentanoi...)
Show SMILES CCOC(=O)CCCCO\N=C(/c1ccccc1)c1cccnc1
Show InChI InChI=1S/C19H22N2O3/c1-2-23-18(22)12-6-7-14-24-21-19(16-9-4-3-5-10-16)17-11-8-13-20-15-17/h3-5,8-11,13,15H,2,6-7,12,14H2,1H3/b21-19+
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Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase (TXA2) in human platelet microsomes [reduced formation of TXB2 from prostaglandin H2(PGH2)]


Bioorg Med Chem Lett 12: 771-4 (2002)


BindingDB Entry DOI: 10.7270/Q23X85ZH
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50109140
PNG
(5-[1-Phenyl-1-pyridin-3-yl-meth-(Z)-ylideneaminoox...)
Show SMILES CCOC(=O)CCCCO\N=C(\c1ccccc1)c1cccnc1
Show InChI InChI=1S/C19H22N2O3/c1-2-23-18(22)12-6-7-14-24-21-19(16-9-4-3-5-10-16)17-11-8-13-20-15-17/h3-5,8-11,13,15H,2,6-7,12,14H2,1H3/b21-19-
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n/an/a 1n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of TXB2 production by incubating prostaglandin H2 with human platelet microsomes.


Bioorg Med Chem Lett 12: 341-4 (2002)


BindingDB Entry DOI: 10.7270/Q2ST7P56
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043839
PNG
((E)-6-[2-(4-Fluoro-benzenesulfonylamino)-indan-5-y...)
Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H25FN2O4S/c27-22-9-11-24(12-10-22)34(32,33)29-23-15-18-7-8-19(14-21(18)16-23)25(5-1-2-6-26(30)31)20-4-3-13-28-17-20/h3-5,7-14,17,23,29H,1-2,6,15-16H2,(H,30,31)/b25-5+
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n/an/a 1n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50003780
PNG
(4-(3-Pyridin-3-yl-propyl)-8-(toluene-4-sulfonylami...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCCC(CCCc1cccnc1)CCC(O)=O
Show InChI InChI=1S/C23H32N2O4S/c1-19-10-13-22(14-11-19)30(28,29)25-17-3-2-6-20(12-15-23(26)27)7-4-8-21-9-5-16-24-18-21/h5,9-11,13-14,16,18,20,25H,2-4,6-8,12,15,17H2,1H3,(H,26,27)
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of Thromboxane A2 synthase


J Med Chem 35: 4373-83 (1992)


BindingDB Entry DOI: 10.7270/Q2F47N3W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50003792
PNG
(8-(4-Fluoro-benzenesulfonylamino)-4-(3-pyridin-3-y...)
Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(F)cc1)CCCc1cccnc1
Show InChI InChI=1S/C22H29FN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of Thromboxane A2 synthase


J Med Chem 35: 4373-83 (1992)


BindingDB Entry DOI: 10.7270/Q2F47N3W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50109134
PNG
(5-[1-Pyridin-3-yl-1-{3-[(3-pyridin-3-yl-1H-pyrrolo...)
Show SMILES CCOC(=O)CCCCO\N=C(/c1cccnc1)c1cccc(NC(=O)c2ccn3C(SCc23)c2cccnc2)c1
Show InChI InChI=1S/C31H31N5O4S/c1-2-39-28(37)12-3-4-17-40-35-29(23-9-6-14-32-19-23)22-8-5-11-25(18-22)34-30(38)26-13-16-36-27(26)21-41-31(36)24-10-7-15-33-20-24/h5-11,13-16,18-20,31H,2-4,12,17,21H2,1H3,(H,34,38)/b35-29-
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n/an/a 1.20n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of TXB2 production by incubating prostaglandin H2 with human platelet microsomes.


Bioorg Med Chem Lett 12: 341-4 (2002)


BindingDB Entry DOI: 10.7270/Q2ST7P56
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50003803
PNG
(8-(Naphthalene-2-sulfonylamino)-4-(3-pyridin-3-yl-...)
Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc2ccccc2c1)CCCc1cccnc1
Show InChI InChI=1S/C26H32N2O4S/c29-26(30)16-13-21(8-5-9-22-10-6-17-27-20-22)7-3-4-18-28-33(31,32)25-15-14-23-11-1-2-12-24(23)19-25/h1-2,6,10-12,14-15,17,19-21,28H,3-5,7-9,13,16,18H2,(H,29,30)
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n/an/a 1.5n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of Thromboxane A2 synthase


J Med Chem 35: 4373-83 (1992)


BindingDB Entry DOI: 10.7270/Q2F47N3W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50109124
PNG
(5-[1-(3-{[4-(2-Methyl-imidazo[4,5-c]pyridin-1-ylme...)
Show SMILES Cc1nc2cnccc2n1Cc1ccc(cc1)S(=O)(=O)NCc1cccc(c1)C(=N/OCCCCC(O)=O)\c1cccnc1
Show InChI InChI=1S/C32H32N6O5S/c1-23-36-29-21-34-16-14-30(29)38(23)22-24-10-12-28(13-11-24)44(41,42)35-19-25-6-4-7-26(18-25)32(27-8-5-15-33-20-27)37-43-17-3-2-9-31(39)40/h4-8,10-16,18,20-21,35H,2-3,9,17,19,22H2,1H3,(H,39,40)/b37-32+
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n/an/a 1.80n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of TXB2 production by incubating prostaglandin H2 with human platelet microsomes.


Bioorg Med Chem Lett 12: 341-4 (2002)


BindingDB Entry DOI: 10.7270/Q2ST7P56
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50003801
PNG
(4-(3-Pyridin-3-yl-propyl)-8-(4-trifluoromethyl-ben...)
Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CCCc1cccnc1
Show InChI InChI=1S/C23H29F3N2O4S/c24-23(25,26)20-10-12-21(13-11-20)33(31,32)28-16-2-1-5-18(9-14-22(29)30)6-3-7-19-8-4-15-27-17-19/h4,8,10-13,15,17-18,28H,1-3,5-7,9,14,16H2,(H,29,30)
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of Thromboxane A2 synthase


J Med Chem 35: 4373-83 (1992)


BindingDB Entry DOI: 10.7270/Q2F47N3W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50003781
PNG
(CHEMBL341686 | [5-(4-Chloro-benzenesulfonylamino)-...)
Show SMILES OC(=O)CSC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1
Show InChI InChI=1S/C21H27ClN2O4S2/c22-18-9-11-20(12-10-18)30(27,28)24-14-2-1-7-19(29-16-21(25)26)8-3-5-17-6-4-13-23-15-17/h4,6,9-13,15,19,24H,1-3,5,7-8,14,16H2,(H,25,26)
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of Thromboxane A2 synthase


J Med Chem 35: 4373-83 (1992)


BindingDB Entry DOI: 10.7270/Q2F47N3W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50003776
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...)
Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1
Show InChI InChI=1S/C22H29ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against thromboxane synthase


Bioorg Med Chem Lett 4: 2073-2076 (1994)


Article DOI: 10.1016/S0960-894X(01)80104-9
BindingDB Entry DOI: 10.7270/Q2C53KS7
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50038591
PNG
(6-(5-Chloro-1-methyl-2-pyridin-3-yl-1H-indol-3-yl)...)
Show SMILES Cn1c(c(CCCCCC(O)=O)c2cc(Cl)ccc12)-c1cccnc1
Show InChI InChI=1S/C20H21ClN2O2/c1-23-18-10-9-15(21)12-17(18)16(7-3-2-4-8-19(24)25)20(23)14-6-5-11-22-13-14/h5-6,9-13H,2-4,7-8H2,1H3,(H,24,25)
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n/an/a 2n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of thromboxane synthase (TxS) in human platelets (in vitro)


J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50003776
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...)
Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1
Show InChI InChI=1S/C22H29ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against thromboxane synthase A2 (TXA2)


J Med Chem 35: 4366-72 (1992)


BindingDB Entry DOI: 10.7270/Q2JW8CVB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50003776
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...)
Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1
Show InChI InChI=1S/C22H29ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthasase in microsomal platelet preparation


J Med Chem 36: 205-10 (1993)


BindingDB Entry DOI: 10.7270/Q2XS5TFK
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50003776
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...)
Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1
Show InChI InChI=1S/C22H29ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase


Bioorg Med Chem Lett 4: 2067-2072 (1994)


Article DOI: 10.1016/S0960-894X(01)80103-7
BindingDB Entry DOI: 10.7270/Q2GX4BG6
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043826
PNG
(6-{4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-phe...)
Show SMILES OC(=O)CCCCC(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C25H27ClN2O4S/c26-22-11-13-23(14-12-22)33(31,32)28-17-15-19-7-9-20(10-8-19)24(5-1-2-6-25(29)30)21-4-3-16-27-18-21/h3-4,7-14,16,18,24,28H,1-2,5-6,15,17H2,(H,29,30)
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n/an/a 2n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50020743
PNG
(CHEMBL53346 | Sodium; (+)-7-(3-benzenesulfonylamin...)
Show SMILES [O-]C(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(C2)[C@@H]1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/p-1/b6-1-/t15-,16?,18+,20+/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thromboxane A2 synthetase from human platelets by 1 uM of the compound


J Med Chem 31: 1847-54 (1988)


BindingDB Entry DOI: 10.7270/Q2G44P95
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50003797
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-[2-(pyridin-3-...)
Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCOc1cccnc1
Show InChI InChI=1S/C21H27ClN2O5S/c22-18-7-9-20(10-8-18)30(27,28)24-14-2-1-4-17(6-11-21(25)26)12-15-29-19-5-3-13-23-16-19/h3,5,7-10,13,16-17,24H,1-2,4,6,11-12,14-15H2,(H,25,26)
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n/an/a 2.60n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthasase in microsomal platelet preparation


J Med Chem 36: 205-10 (1993)


BindingDB Entry DOI: 10.7270/Q2XS5TFK
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50072779
PNG
((E)-7-{4-[4-(2-Phenoxy-ethylcarbamoyl)-oxazol-2-yl...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(cc1)-c1nc(co1)C(=O)NCCOc1ccccc1)c1cccnc1
Show InChI InChI=1S/C30H29N3O5/c34-28(35)12-6-2-5-11-26(24-8-7-17-31-20-24)22-13-15-23(16-14-22)30-33-27(21-38-30)29(36)32-18-19-37-25-9-3-1-4-10-25/h1,3-4,7-11,13-17,20-21H,2,5-6,12,18-19H2,(H,32,36)(H,34,35)/b26-11+
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n/an/a 2.60n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against thromboxane synthase


J Med Chem 41: 5362-74 (1999)


Article DOI: 10.1021/jm980173n
BindingDB Entry DOI: 10.7270/Q2V123Z8
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50072778
PNG
((E)-7-(4-{4-[3-(4-Methoxy-phenyl)-propylcarbamoyl]...)
Show SMILES COc1ccc(CCCNC(=O)c2coc(n2)-c2ccc(cc2)C(=C/CCCCC(O)=O)\c2cccnc2)cc1
Show InChI InChI=1S/C32H33N3O5/c1-39-27-17-11-23(12-18-27)7-5-20-34-31(38)29-22-40-32(35-29)25-15-13-24(14-16-25)28(26-8-6-19-33-21-26)9-3-2-4-10-30(36)37/h6,8-9,11-19,21-22H,2-5,7,10,20H2,1H3,(H,34,38)(H,36,37)/b28-9+
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n/an/a 2.70n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against thromboxane synthase


J Med Chem 41: 5362-74 (1999)


Article DOI: 10.1021/jm980173n
BindingDB Entry DOI: 10.7270/Q2V123Z8
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50010960
PNG
((E)-7-Phenyl-7-pyridin-3-yl-hept-6-enoic acid | 7-...)
Show SMILES OC(=O)CCCC\C=C(/c1ccccc1)c1cccnc1
Show InChI InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11+
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n/an/a 2.90n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Activity against TXA2 synthase in bovine platelet microsome


J Med Chem 36: 1613-8 (1993)


BindingDB Entry DOI: 10.7270/Q2639NTJ
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50003799
PNG
(8-(4-Chloro-benzenesulfonylamino)-2-methyl-4-(3-py...)
Show SMILES CC(CC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1)C(O)=O
Show InChI InChI=1S/C23H31ClN2O4S/c1-18(23(27)28)16-19(7-4-8-20-9-5-14-25-17-20)6-2-3-15-26-31(29,30)22-12-10-21(24)11-13-22/h5,9-14,17-19,26H,2-4,6-8,15-16H2,1H3,(H,27,28)
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of Thromboxane A2 synthase


J Med Chem 35: 4373-83 (1992)


BindingDB Entry DOI: 10.7270/Q2F47N3W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50003800
PNG
(8-(4-Methoxy-benzenesulfonylamino)-4-(3-pyridin-3-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCCC(CCCc1cccnc1)CCC(O)=O
Show InChI InChI=1S/C23H32N2O5S/c1-30-21-11-13-22(14-12-21)31(28,29)25-17-3-2-6-19(10-15-23(26)27)7-4-8-20-9-5-16-24-18-20/h5,9,11-14,16,18-19,25H,2-4,6-8,10,15,17H2,1H3,(H,26,27)
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of Thromboxane A2 synthase


J Med Chem 35: 4373-83 (1992)


BindingDB Entry DOI: 10.7270/Q2F47N3W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50075645
PNG
(6-{3-[2-cyano-1-cyclohexylamino-(E)-1-iminomethyla...)
Show SMILES OC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NC2CCCCC2)=NC#N)c1 |w:28.30,6.5|
Show InChI InChI=1S/C25H29N5O2/c26-18-28-25(29-21-10-2-1-3-11-21)30-22-12-6-8-19(16-22)23(13-4-5-14-24(31)32)20-9-7-15-27-17-20/h6-9,12-13,15-17,21H,1-5,10-11,14H2,(H,31,32)(H2,28,29,30)
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Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50075630
PNG
(6-{3-[1-(1-adamantylamino)-2-cyano-(E)-1-iminometh...)
Show SMILES OC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NC23CC4CC(CC(C4)C2)C3)=NC#N)c1 |w:32.36,6.5,TLB:29:28:31:24.23.25,29:24:31:28.30.27,25:26:30:24.23.29,THB:25:24:30:26.31.27|
Show InChI InChI=1S/C29H33N5O2/c30-19-32-28(34-29-15-20-11-21(16-29)13-22(12-20)17-29)33-25-7-3-5-23(14-25)26(8-1-2-9-27(35)36)24-6-4-10-31-18-24/h3-8,10,14,18,20-22H,1-2,9,11-13,15-17H2,(H,35,36)(H2,32,33,34)
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Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50003796
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-[3-(1-oxy-pyri...)
Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1ccc[n+]([O-])c1
Show InChI InChI=1S/C22H29ClN2O5S/c23-20-10-12-21(13-11-20)31(29,30)24-15-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-16-25(28)17-19/h4,8,10-13,16-18,24H,1-3,5-7,9,14-15H2,(H,26,27)
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of Thromboxane A2 synthase


J Med Chem 35: 4373-83 (1992)


BindingDB Entry DOI: 10.7270/Q2F47N3W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50003797
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-[2-(pyridin-3-...)
Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCOc1cccnc1
Show InChI InChI=1S/C21H27ClN2O5S/c22-18-7-9-20(10-8-18)30(27,28)24-14-2-1-4-17(6-11-21(25)26)12-15-29-19-5-3-13-23-16-19/h3,5,7-10,13,16-17,24H,1-2,4,6,11-12,14-15H2,(H,25,26)
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of Thromboxane A2 synthase


J Med Chem 35: 4373-83 (1992)


BindingDB Entry DOI: 10.7270/Q2F47N3W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(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 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets


J Med Chem 29: 342-6 (1986)


BindingDB Entry DOI: 10.7270/Q2W66JSZ
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(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 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thromboxane TXA2 synthetase from human platelets


J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(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 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane A2 synthetase


J Med Chem 28: 1427-32 (1985)


BindingDB Entry DOI: 10.7270/Q2DJ5DN7
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(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 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase from human platelets.


J Med Chem 29: 1637-43 (1986)


BindingDB Entry DOI: 10.7270/Q2WQ02S2
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50008790
PNG
(5-[Pyridin-4-yl-(3-trifluoromethyl-phenyl)-methyle...)
Show SMILES OC(=O)CCCCO\N=C(/c1ccncc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)15-5-3-4-14(12-15)17(13-7-9-22-10-8-13)23-26-11-2-1-6-16(24)25/h3-5,7-10,12H,1-2,6,11H2,(H,24,25)/b23-17+
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n/an/a 3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibition of Thromboxane synthase using [14C]-arachidonic acid as radioligand


J Med Chem 34: 1790-7 (1991)


BindingDB Entry DOI: 10.7270/Q2BR8R47
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50003795
PNG
(5-[1-Pyridin-3-yl-1-(3-trifluoromethyl-phenyl)-met...)
Show SMILES OC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+
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n/an/a 3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of Thromboxane A2 synthase


J Med Chem 35: 4373-83 (1992)


BindingDB Entry DOI: 10.7270/Q2F47N3W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50003798
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(3-imidazol-1-...)
Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCn1ccnc1
Show InChI InChI=1S/C20H28ClN3O4S/c21-18-7-9-19(10-8-18)29(27,28)23-12-2-1-4-17(6-11-20(25)26)5-3-14-24-15-13-22-16-24/h7-10,13,15-17,23H,1-6,11-12,14H2,(H,25,26)
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n/an/a 3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of Thromboxane A2 synthase


J Med Chem 35: 4373-83 (1992)


BindingDB Entry DOI: 10.7270/Q2F47N3W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50025953
PNG
(6-Imidazo[1,5-a]pyridin-5-yl-hexanoic acid | CGS-1...)
Show SMILES OC(=O)CCCCCc1cccc2cncn12
Show InChI InChI=1S/C13H16N2O2/c16-13(17)8-3-1-2-5-11-6-4-7-12-9-14-10-15(11)12/h4,6-7,9-10H,1-3,5,8H2,(H,16,17)
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase


Bioorg Med Chem Lett 4: 2067-2072 (1994)


Article DOI: 10.1016/S0960-894X(01)80103-7
BindingDB Entry DOI: 10.7270/Q2GX4BG6
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50003795
PNG
(5-[1-Pyridin-3-yl-1-(3-trifluoromethyl-phenyl)-met...)
Show SMILES OC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against thromboxane synthase


Bioorg Med Chem Lett 4: 2073-2076 (1994)


Article DOI: 10.1016/S0960-894X(01)80104-9
BindingDB Entry DOI: 10.7270/Q2C53KS7
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50028756
PNG
(2-Methyl-3-(4-pyridin-3-ylmethyl-phenyl)-acrylic a...)
Show SMILES C\C(=C\c1ccc(Cc2cccnc2)cc1)C(O)=O
Show InChI InChI=1S/C16H15NO2/c1-12(16(18)19)9-13-4-6-14(7-5-13)10-15-3-2-8-17-11-15/h2-9,11H,10H2,1H3,(H,18,19)/b12-9-
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane synthetase


J Med Chem 24: 1149-55 (1982)


BindingDB Entry DOI: 10.7270/Q2FT8MMG
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50075618
PNG
(6-{3-[2-cyano-1-cyclopentylamino-(E)-1-iminomethyl...)
Show SMILES OC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NC2CCCC2)=NC#N)c1 |w:27.29,6.5|
Show InChI InChI=1S/C24H27N5O2/c25-17-27-24(28-20-9-1-2-10-20)29-21-11-5-7-18(15-21)22(12-3-4-13-23(30)31)19-8-6-14-26-16-19/h5-8,11-12,14-16,20H,1-4,9-10,13H2,(H,30,31)(H2,27,28,29)
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Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50075637
PNG
(6-{3-[2-cyano-1-isopentylamino-(E)-1-iminomethylam...)
Show SMILES CC(C)CCNC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC#N |w:28.30,15.16|
Show InChI InChI=1S/C24H29N5O2/c1-18(2)12-14-27-24(28-17-25)29-21-9-5-7-19(15-21)22(10-3-4-11-23(30)31)20-8-6-13-26-16-20/h5-10,13,15-16,18H,3-4,11-12,14H2,1-2H3,(H,30,31)(H2,27,28,29)
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Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50075644
PNG
((E)-6-[3-({[(E)-Benzenesulfonylimino]-tert-butylam...)
Show SMILES CC(C)(C)N=C(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)NS(=O)(=O)c1ccccc1 |w:4.3,14.15|
Show InChI InChI=1S/C28H32N4O4S/c1-28(2,3)31-27(32-37(35,36)24-14-5-4-6-15-24)30-23-13-9-11-21(19-23)25(16-7-8-17-26(33)34)22-12-10-18-29-20-22/h4-6,9-16,18-20H,7-8,17H2,1-3H3,(H,33,34)(H2,30,31,32)
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Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50025953
PNG
(6-Imidazo[1,5-a]pyridin-5-yl-hexanoic acid | CGS-1...)
Show SMILES OC(=O)CCCCCc1cccc2cncn12
Show InChI InChI=1S/C13H16N2O2/c16-13(17)8-3-1-2-5-11-6-4-7-12-9-14-10-15(11)12/h4,6-7,9-10H,1-3,5,8H2,(H,16,17)
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thromboxane A2 synthetase with lysed human platelets as the enzyme source.


J Med Chem 28: 164-70 (1985)


BindingDB Entry DOI: 10.7270/Q22B8ZKX
More data for this
Ligand-Target Pair
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