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Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'vlattas' and Initial = 'i'   
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
Diphosphomevalonate decarboxylase


(Homo sapiens (Human))
BDBM50287714
PNG
((3R)-3-(fluoromethyl)-3-hydroxy-5-{[(phosphonatoox...)
Show SMILES O[C@](CF)(CCOP([O-])(=O)OP([O-])([O-])=O)CC([O-])=O
Show InChI InChI=1S/C6H13FO10P2/c7-4-6(10,3-5(8)9)1-2-16-19(14,15)17-18(11,12)13/h10H,1-4H2,(H,8,9)(H,14,15)(H2,11,12,13)/p-4/t6-/m1/s1
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Article
37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase


Bioorg Med Chem Lett 6: 2091-2096 (1996)


Article DOI: 10.1016/0960-894X(96)00374-5
BindingDB Entry DOI: 10.7270/Q2930TPB
More data for this
Ligand-Target Pair
Diphosphomevalonate decarboxylase


(Homo sapiens (Human))
BDBM50287713
PNG
([methyl(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)...)
Show SMILES CN(CCOP([O-])(=O)OP([O-])([O-])=O)CC([O-])=O
Show InChI InChI=1S/C5H13NO9P2/c1-6(4-5(7)8)2-3-14-17(12,13)15-16(9,10)11/h2-4H2,1H3,(H,7,8)(H,12,13)(H2,9,10,11)/p-4
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750n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase


Bioorg Med Chem Lett 6: 2091-2096 (1996)


Article DOI: 10.1016/0960-894X(96)00374-5
BindingDB Entry DOI: 10.7270/Q2930TPB
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))
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))
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))
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))
BDBM50283051
PNG
((Z)-7-[(2S,3R,4R)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@H](CO[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27-,29+/m0/s1
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n/an/a 4.30n/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))
BDBM50283051
PNG
((Z)-7-[(2S,3R,4R)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@H](CO[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27-,29+/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition 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
Diphosphomevalonate decarboxylase


(Homo sapiens (Human))
BDBM50287710
PNG
((2S)-1-({[(phosphonatooxy)phosphinato]oxy}acetyl)p...)
Show SMILES [O-]C(=O)[C@@H]1CCCN1C(=O)COP([O-])(=O)OP([O-])([O-])=O
Show InChI InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/p-4/t5-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase


Bioorg Med Chem Lett 6: 2091-2096 (1996)


Article DOI: 10.1016/0960-894X(96)00374-5
BindingDB Entry DOI: 10.7270/Q2930TPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50283046
PNG
((Z)-7-[(2S,3S,4S)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](CS[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO3S/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets


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))
BDBM50283042
PNG
((Z)-7-[(2S,3S,4R)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@H](CS[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO3S/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27-,29+/m0/s1
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n/an/a 11n/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 A2 receptor


(Homo sapiens (Human))
BDBM50283049
PNG
((Z)-7-[(1R,2R,3S,5S)-5-(Biphenyl-4-ylmethoxy)-3-hy...)
Show SMILES O[C@H]1C[C@H](OCc2ccc(cc2)-c2ccccc2)[C@H](CC\C=C/CCC(O)=O)[C@H]1N1CCCCC1
Show InChI InChI=1S/C30H39NO4/c32-27-21-28(35-22-23-15-17-25(18-16-23)24-11-5-3-6-12-24)26(13-7-1-2-8-14-29(33)34)30(27)31-19-9-4-10-20-31/h1-3,5-6,11-12,15-18,26-28,30,32H,4,7-10,13-14,19-22H2,(H,33,34)/b2-1-/t26-,27-,28-,30+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets


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))
BDBM50283046
PNG
((Z)-7-[(2S,3S,4S)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](CS[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO3S/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29+/m0/s1
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n/an/a 13n/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))
BDBM50283046
PNG
((Z)-7-[(2S,3S,4S)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](CS[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO3S/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29+/m0/s1
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n/an/a 13n/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
Diphosphomevalonate decarboxylase


(Homo sapiens (Human))
BDBM50287715
PNG
((2R)-1-({[(phosphonatooxy)phosphinato]oxy}acetyl)p...)
Show SMILES [O-]C(=O)[C@H]1CCCN1C(=O)COP([O-])(=O)OP([O-])([O-])=O
Show InChI InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/p-4/t5-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase


Bioorg Med Chem Lett 6: 2091-2096 (1996)


Article DOI: 10.1016/0960-894X(96)00374-5
BindingDB Entry DOI: 10.7270/Q2930TPB
More data for this
Ligand-Target Pair
Diphosphomevalonate decarboxylase


(Homo sapiens (Human))
BDBM50287715
PNG
((2R)-1-({[(phosphonatooxy)phosphinato]oxy}acetyl)p...)
Show SMILES [O-]C(=O)[C@H]1CCCN1C(=O)COP([O-])(=O)OP([O-])([O-])=O
Show InChI InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/p-4/t5-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against MevPP decarboxylase


Bioorg Med Chem Lett 6: 2091-2096 (1996)


Article DOI: 10.1016/0960-894X(96)00374-5
BindingDB Entry DOI: 10.7270/Q2930TPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50283051
PNG
((Z)-7-[(2S,3R,4R)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@H](CO[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27-,29+/m0/s1
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n/an/a 17n/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 A2 receptor


(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 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets


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 A2 receptor


(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 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist against U-46619 induced aggregation of washed human platelets


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 A2 receptor


(Homo sapiens (Human))
BDBM50283047
PNG
((Z)-7-[(2S,3S,4S)-4-(Biphenyl-4-ylmethoxy)-1,1-dio...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](CS(=O)(=O)[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO5S/c31-28(32)13-7-2-1-6-12-26-27(21-36(33,34)29(26)25-11-8-18-30-19-25)35-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets


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 A2 receptor


(Homo sapiens (Human))
BDBM50283046
PNG
((Z)-7-[(2S,3S,4S)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](CS[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO3S/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets


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))
BDBM50283050
PNG
((Z)-7-[(2S,3R,4S)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](CO[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29+/m0/s1
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n/an/a 22n/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 A2 receptor


(Homo sapiens (Human))
BDBM50283046
PNG
((Z)-7-[(2S,3S,4S)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](CS[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO3S/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets


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 A2 receptor


(Homo sapiens (Human))
BDBM50283048
PNG
((Z)-7-[(2S,3S,4R)-4-(Biphenyl-4-ylmethoxy)-1,1-dio...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@H](CS(=O)(=O)[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO5S/c31-28(32)13-7-2-1-6-12-26-27(21-36(33,34)29(26)25-11-8-18-30-19-25)35-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27-,29+/m0/s1
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n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets


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 A2 receptor


(Homo sapiens (Human))
BDBM50283051
PNG
((Z)-7-[(2S,3R,4R)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@H](CO[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27-,29+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist against U-46619 induced aggregation of washed human platelets


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 A2 receptor


(Homo sapiens (Human))
BDBM50283051
PNG
((Z)-7-[(2S,3R,4R)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@H](CO[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27-,29+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist against U-46619 induced aggregation of washed human platelets


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 A2 receptor


(Homo sapiens (Human))
BDBM50283051
PNG
((Z)-7-[(2S,3R,4R)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@H](CO[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27-,29+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist against U-46619 induced aggregation of washed human platelets


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))
BDBM50283052
PNG
((Z)-7-[(2R,3R,4R)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@H](CO[C@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27-,29-/m0/s1
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n/an/a 32n/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))
BDBM50283045
PNG
((Z)-7-[(2S,3S,4S)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H](CS[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO3S/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1,3-6,8-11,14-19,26-27,29H,2,7,12-13,20-21H2,(H,31,32)/b6-1-/t26-,27+,29+/m0/s1
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n/an/a 43n/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 A2 receptor


(Homo sapiens (Human))
BDBM50283042
PNG
((Z)-7-[(2S,3S,4R)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@H](CS[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO3S/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27-,29+/m0/s1
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets


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 A2 receptor


(Homo sapiens (Human))
BDBM50283046
PNG
((Z)-7-[(2S,3S,4S)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](CS[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO3S/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29+/m0/s1
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets


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 A2 receptor


(Homo sapiens (Human))
BDBM50283043
PNG
((Z)-7-[(2S,3S,4R)-4-(Biphenyl-4-ylmethoxy)-1-oxo-2...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@H](CS(=O)[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO4S/c31-28(32)13-7-2-1-6-12-26-27(21-35(33)29(26)25-11-8-18-30-19-25)34-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27-,29+,35?/m0/s1
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n/an/a 57n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets


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))
BDBM50283053
PNG
((Z)-7-[(2R,3R,4S)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](CO[C@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29-/m0/s1
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n/an/a 65n/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 A2 receptor


(Homo sapiens (Human))
BDBM50403283
PNG
(CHEMBL2115559)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](C[S@@](=O)[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO4S/c31-28(32)13-7-2-1-6-12-26-27(21-35(33)29(26)25-11-8-18-30-19-25)34-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29+,35+/m0/s1
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n/an/a 77n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets


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 A2 receptor


(Homo sapiens (Human))
BDBM50283050
PNG
((Z)-7-[(2S,3R,4S)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](CO[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29+/m0/s1
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n/an/a 88n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist against U-46619 induced aggregation of washed human platelets


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))
BDBM50283043
PNG
((Z)-7-[(2S,3S,4R)-4-(Biphenyl-4-ylmethoxy)-1-oxo-2...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@H](CS(=O)[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO4S/c31-28(32)13-7-2-1-6-12-26-27(21-35(33)29(26)25-11-8-18-30-19-25)34-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27-,29+,35?/m0/s1
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n/an/a>100n/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 A2 receptor


(Homo sapiens (Human))
BDBM50403282
PNG
(CHEMBL2115518)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](C[S@](=O)[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO4S/c31-28(32)13-7-2-1-6-12-26-27(21-35(33)29(26)25-11-8-18-30-19-25)34-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29+,35-/m0/s1
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n/an/a 105n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets


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
Diphosphomevalonate decarboxylase


(Homo sapiens (Human))
BDBM50287712
PNG
([(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)thio]a...)
Show SMILES [O-]C(=O)CSCCOP([O-])(=O)OP([O-])([O-])=O
Show InChI InChI=1S/C4H10O9P2S/c5-4(6)3-16-2-1-12-15(10,11)13-14(7,8)9/h1-3H2,(H,5,6)(H,10,11)(H2,7,8,9)/p-4
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase


Bioorg Med Chem Lett 6: 2091-2096 (1996)


Article DOI: 10.1016/0960-894X(96)00374-5
BindingDB Entry DOI: 10.7270/Q2930TPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50403283
PNG
(CHEMBL2115559)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](C[S@@](=O)[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO4S/c31-28(32)13-7-2-1-6-12-26-27(21-35(33)29(26)25-11-8-18-30-19-25)34-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29+,35+/m0/s1
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n/an/a>200n/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))
BDBM50283048
PNG
((Z)-7-[(2S,3S,4R)-4-(Biphenyl-4-ylmethoxy)-1,1-dio...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@H](CS(=O)(=O)[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO5S/c31-28(32)13-7-2-1-6-12-26-27(21-36(33,34)29(26)25-11-8-18-30-19-25)35-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27-,29+/m0/s1
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n/an/a>200n/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))
BDBM50283047
PNG
((Z)-7-[(2S,3S,4S)-4-(Biphenyl-4-ylmethoxy)-1,1-dio...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](CS(=O)(=O)[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO5S/c31-28(32)13-7-2-1-6-12-26-27(21-36(33,34)29(26)25-11-8-18-30-19-25)35-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29+/m0/s1
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n/an/a>200n/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))
BDBM50403282
PNG
(CHEMBL2115518)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](C[S@](=O)[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO4S/c31-28(32)13-7-2-1-6-12-26-27(21-35(33)29(26)25-11-8-18-30-19-25)34-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29+,35-/m0/s1
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n/an/a>200n/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 A2 receptor


(Homo sapiens (Human))
BDBM50283045
PNG
((Z)-7-[(2S,3S,4S)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H](CS[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO3S/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1,3-6,8-11,14-19,26-27,29H,2,7,12-13,20-21H2,(H,31,32)/b6-1-/t26-,27+,29+/m0/s1
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n/an/a 228n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets


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
Diphosphomevalonate decarboxylase


(Homo sapiens (Human))
BDBM50287711
PNG
([methyl({[(phosphonatooxy)phosphinato]oxy}acetyl)a...)
Show SMILES CN(CC([O-])=O)C(=O)COP([O-])(=O)OP([O-])([O-])=O
Show InChI InChI=1S/C5H11NO10P2/c1-6(2-5(8)9)4(7)3-15-18(13,14)16-17(10,11)12/h2-3H2,1H3,(H,8,9)(H,13,14)(H2,10,11,12)/p-4
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against MevPP decarboxylase


Bioorg Med Chem Lett 6: 2091-2096 (1996)


Article DOI: 10.1016/0960-894X(96)00374-5
BindingDB Entry DOI: 10.7270/Q2930TPB
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50283052
PNG
((Z)-7-[(2R,3R,4R)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@H](CO[C@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27-,29-/m0/s1
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n/an/a 795n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist against U-46619 induced aggregation of washed human platelets


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 A2 receptor


(Homo sapiens (Human))
BDBM50283053
PNG
((Z)-7-[(2R,3R,4S)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](CO[C@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29-/m0/s1
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n/an/a 820n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist against U-46619 induced aggregation of washed human platelets


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 A2 receptor


(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 1.28E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist against U-46619 induced aggregation of washed human platelets


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