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PubMed code 7752186

Compile data set for download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
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))
BDBM50034762
PNG
((E)-7-(4-{6-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-en...)
Show SMILES CC(C)(CCCCCc1ccc(cc1)C(=C/CCCCC(O)=O)\c1cccnc1)[C@H]1OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1ccccc1O
Show InChI InChI=1S/C42H53NO7/c1-42(2,41-49-30-34(16-7-3-9-21-38(45)46)40(50-41)36-19-11-12-20-37(36)44)27-13-5-6-15-31-23-25-32(26-24-31)35(33-17-14-28-43-29-33)18-8-4-10-22-39(47)48/h3,7,11-12,14,17-20,23-26,28-29,34,40-41,44H,4-6,8-10,13,15-16,21-22,27,30H2,1-2H3,(H,45,46)(H,47,48)/b7-3-,35-18+/t34-,40+,41+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034767
PNG
((E)-7-(4-{5-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-en...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(OCCCCC[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2ccccc2O)cc1)c1cccnc1
Show InChI InChI=1S/C39H47NO8/c41-35-17-10-9-16-34(35)39-31(13-4-1-6-18-36(42)43)28-47-38(48-39)20-8-3-11-26-46-32-23-21-29(22-24-32)33(30-14-12-25-40-27-30)15-5-2-7-19-37(44)45/h1,4,9-10,12,14-17,21-25,27,31,38-39,41H,2-3,5-8,11,13,18-20,26,28H2,(H,42,43)(H,44,45)/b4-1-,33-15+/t31-,38+,39+/m1/s1
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ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034758
PNG
((E)-7-(3-{4-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-en...)
Show SMILES OC(=O)CCCC\C=C(\c1cccnc1)c1cccc(OCc2ccc(cc2)[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2ccccc2O)c1
Show InChI InChI=1S/C41H43NO8/c43-37-17-8-7-16-36(37)40-33(11-3-1-5-18-38(44)45)28-49-41(50-40)30-22-20-29(21-23-30)27-48-34-14-9-12-31(25-34)35(32-13-10-24-42-26-32)15-4-2-6-19-39(46)47/h1,3,7-10,12-17,20-26,33,40-41,43H,2,4-6,11,18-19,27-28H2,(H,44,45)(H,46,47)/b3-1-,35-15+/t33-,40+,41+/m1/s1
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ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034750
PNG
((E)-7-(4-{4-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-en...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(OCc2ccc(cc2)[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2ccccc2O)cc1)c1cccnc1
Show InChI InChI=1S/C41H43NO8/c43-37-14-8-7-13-36(37)40-33(10-3-1-5-15-38(44)45)28-49-41(50-40)31-19-17-29(18-20-31)27-48-34-23-21-30(22-24-34)35(32-11-9-25-42-26-32)12-4-2-6-16-39(46)47/h1,3,7-9,11-14,17-26,33,40-41,43H,2,4-6,10,15-16,27-28H2,(H,44,45)(H,46,47)/b3-1-,35-12+/t33-,40+,41+/m1/s1
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ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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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ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034769
PNG
((E)-7-(4-{1-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-en...)
Show SMILES CC(C)([C@H]1OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1ccccc1O)c1ccc(cc1)C(=C/CCCCC(O)=O)\c1cccnc1
Show InChI InChI=1S/C37H43NO7/c1-37(2,29-21-19-26(20-22-29)30(27-13-11-23-38-24-27)14-6-4-8-18-34(42)43)36-44-25-28(12-5-3-7-17-33(40)41)35(45-36)31-15-9-10-16-32(31)39/h3,5,9-11,13-16,19-24,28,35-36,39H,4,6-8,12,17-18,25H2,1-2H3,(H,40,41)(H,42,43)/b5-3-,30-14+/t28-,35+,36+/m1/s1
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ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034745
PNG
(3-(2-{2-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-...)
Show SMILES OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccccc1OCCOc1cc(ccc1OCCn1ccnc1)C(O)=O
Show InChI InChI=1S/C36H38N2O10/c39-29-11-6-4-9-27(29)34-26(8-2-1-3-13-33(40)41)23-47-36(48-34)28-10-5-7-12-30(28)45-20-21-46-32-22-25(35(42)43)14-15-31(32)44-19-18-38-17-16-37-24-38/h1-2,4-7,9-12,14-17,22,24,26,34,36,39H,3,8,13,18-21,23H2,(H,40,41)(H,42,43)/b2-1-/t26-,34+,36+/m1/s1
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ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034761
PNG
((E)-7-[4-(2-{2-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(OCCOc2ccccc2[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2ccccc2O)cc1)c1cccnc1
Show InChI InChI=1S/C42H45NO9/c44-37-17-9-7-15-35(37)41-32(12-3-1-5-19-39(45)46)29-51-42(52-41)36-16-8-10-18-38(36)50-27-26-49-33-23-21-30(22-24-33)34(31-13-11-25-43-28-31)14-4-2-6-20-40(47)48/h1,3,7-11,13-18,21-25,28,32,41-42,44H,2,4-6,12,19-20,26-27,29H2,(H,45,46)(H,47,48)/b3-1-,34-14+/t32-,41+,42+/m1/s1
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ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034759
PNG
(3-(2-{3-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-...)
Show SMILES OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1cccc(OCCOc2cc(ccc2OCCn2ccnc2)C(O)=O)c1
Show InChI InChI=1S/C36H38N2O10/c39-30-11-5-4-10-29(30)34-27(7-2-1-3-12-33(40)41)23-47-36(48-34)26-8-6-9-28(21-26)44-19-20-46-32-22-25(35(42)43)13-14-31(32)45-18-17-38-16-15-37-24-38/h1-2,4-6,8-11,13-16,21-22,24,27,34,36,39H,3,7,12,17-20,23H2,(H,40,41)(H,42,43)/b2-1-/t27-,34+,36+/m1/s1
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ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034763
PNG
((E)-7-(4-{2-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-en...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(OCC[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2ccccc2O)cc1)c1cccnc1
Show InChI InChI=1S/C36H41NO8/c38-32-14-8-7-13-31(32)36-28(10-3-1-5-15-33(39)40)25-44-35(45-36)21-23-43-29-19-17-26(18-20-29)30(27-11-9-22-37-24-27)12-4-2-6-16-34(41)42/h1,3,7-9,11-14,17-20,22,24,28,35-36,38H,2,4-6,10,15-16,21,23,25H2,(H,39,40)(H,41,42)/b3-1-,30-12+/t28-,35+,36+/m1/s1
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ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034751
PNG
((E)-7-(4-{5-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-en...)
Show SMILES CC(C)(CCCCOc1ccc(cc1)C(=C/CCCCC(O)=O)\c1cccnc1)[C@H]1OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1ccccc1O
Show InChI InChI=1S/C41H51NO8/c1-41(2,40-49-29-32(14-5-3-7-19-37(44)45)39(50-40)35-17-9-10-18-36(35)43)25-11-12-27-48-33-23-21-30(22-24-33)34(31-15-13-26-42-28-31)16-6-4-8-20-38(46)47/h3,5,9-10,13,15-18,21-24,26,28,32,39-40,43H,4,6-8,11-12,14,19-20,25,27,29H2,1-2H3,(H,44,45)(H,46,47)/b5-3-,34-16+/t32-,39+,40+/m1/s1
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ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034753
PNG
((E)-7-(4-{3-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-en...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(OCc2cccc(c2)[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2ccccc2O)cc1)c1cccnc1
Show InChI InChI=1S/C41H43NO8/c43-37-17-8-7-16-36(37)40-33(12-3-1-5-18-38(44)45)28-49-41(50-40)31-13-9-11-29(25-31)27-48-34-22-20-30(21-23-34)35(32-14-10-24-42-26-32)15-4-2-6-19-39(46)47/h1,3,7-11,13-17,20-26,33,40-41,43H,2,4-6,12,18-19,27-28H2,(H,44,45)(H,46,47)/b3-1-,35-15+/t33-,40+,41+/m1/s1
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ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034748
PNG
((E)-7-[4-(2-{3-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(OCCOc2cccc(c2)[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2ccccc2O)cc1)c1cccnc1
Show InChI InChI=1S/C42H45NO9/c44-38-17-8-7-16-37(38)41-33(11-3-1-5-18-39(45)46)29-51-42(52-41)31-12-9-14-35(27-31)50-26-25-49-34-22-20-30(21-23-34)36(32-13-10-24-43-28-32)15-4-2-6-19-40(47)48/h1,3,7-10,12-17,20-24,27-28,33,41-42,44H,2,4-6,11,18-19,25-26,29H2,(H,45,46)(H,47,48)/b3-1-,36-15+/t33-,41+,42+/m1/s1
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ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034744
PNG
(3-(6-{4-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-...)
Show SMILES OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccc(OCCCCCCOc2cc(ccc2OCCn2ccnc2)C(O)=O)cc1
Show InChI InChI=1S/C40H46N2O10/c43-34-12-7-6-11-33(34)38-31(10-4-3-5-13-37(44)45)27-51-40(52-38)29-14-17-32(18-15-29)48-23-8-1-2-9-24-49-36-26-30(39(46)47)16-19-35(36)50-25-22-42-21-20-41-28-42/h3-4,6-7,11-12,14-21,26,28,31,38,40,43H,1-2,5,8-10,13,22-25,27H2,(H,44,45)(H,46,47)/b4-3-/t31-,38+,40+/m1/s1
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ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034766
PNG
((Z)-2-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-4-...)
Show SMILES OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)C(CCC\C=C(\c1ccccc1)c1cccnc1)C(O)=O
Show InChI InChI=1S/C34H37NO7/c36-30-19-10-9-17-28(30)32-26(14-5-2-6-20-31(37)38)23-41-34(42-32)29(33(39)40)18-8-7-16-27(24-12-3-1-4-13-24)25-15-11-21-35-22-25/h1-5,9-13,15-17,19,21-22,26,29,32,34,36H,6-8,14,18,20,23H2,(H,37,38)(H,39,40)/b5-2-,27-16-/t26-,29?,32+,34+/m1/s1
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ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034755
PNG
((E)-7-{4-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(cc1)[C@H]1OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1ccccc1O)c1cccnc1
Show InChI InChI=1S/C34H37NO7/c36-30-14-8-7-13-29(30)33-27(10-3-1-5-15-31(37)38)23-41-34(42-33)25-19-17-24(18-20-25)28(26-11-9-21-35-22-26)12-4-2-6-16-32(39)40/h1,3,7-9,11-14,17-22,27,33-34,36H,2,4-6,10,15-16,23H2,(H,37,38)(H,39,40)/b3-1-,28-12+/t27-,33+,34+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034760
PNG
((E)-7-(4-{10-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-e...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(OCCCCCCCCCC[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2ccccc2O)cc1)c1cccnc1
Show InChI InChI=1S/C44H57NO8/c46-40-22-15-14-21-39(40)44-36(18-9-7-11-23-41(47)48)33-52-43(53-44)25-13-5-3-1-2-4-6-16-31-51-37-28-26-34(27-29-37)38(35-19-17-30-45-32-35)20-10-8-12-24-42(49)50/h7,9,14-15,17,19-22,26-30,32,36,43-44,46H,1-6,8,10-13,16,18,23-25,31,33H2,(H,47,48)(H,49,50)/b9-7-,38-20+/t36-,43+,44+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034757
PNG
((E)-7-[4-(2-{4-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(OCCc2ccc(cc2)[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2ccccc2O)cc1)c1cccnc1
Show InChI InChI=1S/C42H45NO8/c44-38-14-8-7-13-37(38)41-34(10-3-1-5-15-39(45)46)29-50-42(51-41)32-19-17-30(18-20-32)25-27-49-35-23-21-31(22-24-35)36(33-11-9-26-43-28-33)12-4-2-6-16-40(47)48/h1,3,7-9,11-14,17-24,26,28,34,41-42,44H,2,4-6,10,15-16,25,27,29H2,(H,45,46)(H,47,48)/b3-1-,36-12+/t34-,41+,42+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034752
PNG
((E)-7-[4-(2-{4-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(OCCOc2ccc(cc2)[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2ccccc2O)cc1)c1cccnc1
Show InChI InChI=1S/C42H45NO9/c44-38-14-8-7-13-37(38)41-33(10-3-1-5-15-39(45)46)29-51-42(52-41)31-19-23-35(24-20-31)50-27-26-49-34-21-17-30(18-22-34)36(32-11-9-25-43-28-32)12-4-2-6-16-40(47)48/h1,3,7-9,11-14,17-25,28,33,41-42,44H,2,4-6,10,15-16,26-27,29H2,(H,45,46)(H,47,48)/b3-1-,36-12+/t33-,41+,42+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034756
PNG
((E)-7-{6-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)...)
Show SMILES OC(=O)CCCC\C=C(\c1cccnc1)c1ccc2cc(ccc2c1)[C@H]1OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1ccccc1O
Show InChI InChI=1S/C38H39NO7/c40-34-14-8-7-13-33(34)37-31(10-3-1-5-15-35(41)42)25-45-38(46-37)29-20-18-26-22-28(19-17-27(26)23-29)32(30-11-9-21-39-24-30)12-4-2-6-16-36(43)44/h1,3,7-9,11-14,17-24,31,37-38,40H,2,4-6,10,15-16,25H2,(H,41,42)(H,43,44)/b3-1-,32-12+/t31-,37+,38+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034754
PNG
(3-(2-{4-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-...)
Show SMILES OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccc(OCCOc2cc(ccc2OCCn2ccnc2)C(O)=O)cc1
Show InChI InChI=1S/C36H38N2O10/c39-30-8-5-4-7-29(30)34-27(6-2-1-3-9-33(40)41)23-47-36(48-34)25-10-13-28(14-11-25)44-20-21-46-32-22-26(35(42)43)12-15-31(32)45-19-18-38-17-16-37-24-38/h1-2,4-5,7-8,10-17,22,24,27,34,36,39H,3,6,9,18-21,23H2,(H,40,41)(H,42,43)/b2-1-/t27-,34+,36+/m1/s1
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n/an/a 60n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034768
PNG
(3-{5-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-4-(...)
Show SMILES OC(=O)CC\C=C/C[C@@H]1CO[C@H](CCCCCOc2cc(ccc2OCCn2ccnc2)C(O)=O)O[C@@H]1c1ccccc1O
Show InChI InChI=1S/C33H40N2O9/c36-27-11-7-6-10-26(27)32-25(9-3-1-4-12-30(37)38)22-43-31(44-32)13-5-2-8-19-41-29-21-24(33(39)40)14-15-28(29)42-20-18-35-17-16-34-23-35/h1,3,6-7,10-11,14-17,21,23,25,31-32,36H,2,4-5,8-9,12-13,18-20,22H2,(H,37,38)(H,39,40)/b3-1-/t25-,31+,32+/m1/s1
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n/an/a 60n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
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 70n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034746
PNG
((E)-7-[4-(6-{3-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(OCCCCCCOc2cccc(c2)[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2ccccc2O)cc1)c1cccnc1
Show InChI InChI=1S/C46H53NO9/c48-42-21-10-9-20-41(42)45-37(15-5-3-7-22-43(49)50)33-55-46(56-45)35-16-13-18-39(31-35)54-30-12-2-1-11-29-53-38-26-24-34(25-27-38)40(36-17-14-28-47-32-36)19-6-4-8-23-44(51)52/h3,5,9-10,13-14,16-21,24-28,31-32,37,45-46,48H,1-2,4,6-8,11-12,15,22-23,29-30,33H2,(H,49,50)(H,51,52)/b5-3-,40-19+/t37-,45+,46+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034765
PNG
(3-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-4-(2-h...)
Show SMILES OC(=O)CC\C=C/C[C@@H]1CO[C@H](COc2cc(ccc2OCCn2ccnc2)C(O)=O)O[C@@H]1c1ccccc1O
Show InChI InChI=1S/C29H32N2O9/c32-23-8-5-4-7-22(23)28-21(6-2-1-3-9-26(33)34)17-39-27(40-28)18-38-25-16-20(29(35)36)10-11-24(25)37-15-14-31-13-12-30-19-31/h1-2,4-5,7-8,10-13,16,19,21,27-28,32H,3,6,9,14-15,17-18H2,(H,33,34)(H,35,36)/b2-1-/t21-,27+,28+/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034764
PNG
(5-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-4-(2-h...)
Show SMILES OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccc(OCCn2ccnc2)c(c1)C(O)=O
Show InChI InChI=1S/C28H30N2O8/c31-23-8-5-4-7-21(23)26-20(6-2-1-3-9-25(32)33)17-37-28(38-26)19-10-11-24(22(16-19)27(34)35)36-15-14-30-13-12-29-18-30/h1-2,4-5,7-8,10-13,16,18,20,26,28,31H,3,6,9,14-15,17H2,(H,32,33)(H,34,35)/b2-1-/t20-,26+,28+/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034749
PNG
((E)-7-{5-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)...)
Show SMILES OC(=O)CCCC\C=C(/c1ccccc1)c1cncc(c1)[C@H]1OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1ccccc1O
Show InChI InChI=1S/C34H37NO7/c36-30-17-11-10-16-29(30)33-25(14-6-2-8-18-31(37)38)23-41-34(42-33)27-20-26(21-35-22-27)28(24-12-4-1-5-13-24)15-7-3-9-19-32(39)40/h1-2,4-6,10-13,15-17,20-22,25,33-34,36H,3,7-9,14,18-19,23H2,(H,37,38)(H,39,40)/b6-2-,28-15+/t25-,33+,34+/m1/s1
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ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034770
PNG
((Z)-7-{5-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)...)
Show SMILES OC(=O)CCCC\C=C(\c1ccccc1)c1cncc(c1)[C@H]1OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1ccccc1O
Show InChI InChI=1S/C34H37NO7/c36-30-17-11-10-16-29(30)33-25(14-6-2-8-18-31(37)38)23-41-34(42-33)27-20-26(21-35-22-27)28(24-12-4-1-5-13-24)15-7-3-9-19-32(39)40/h1-2,4-6,10-13,15-17,20-22,25,33-34,36H,3,7-9,14,18-19,23H2,(H,37,38)(H,39,40)/b6-2-,28-15-/t25-,33+,34+/m1/s1
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ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50034747
PNG
((Z)-6-[(2S,4S,5R)-2-(2-Chloro-phenyl)-4-(2-hydroxy...)
Show SMILES OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccccc1Cl
Show InChI InChI=1S/C22H23ClO5/c23-18-11-6-4-9-16(18)22-27-14-15(8-2-1-3-13-20(25)26)21(28-22)17-10-5-7-12-19(17)24/h1-2,4-7,9-12,15,21-22,24H,3,8,13-14H2,(H,25,26)/b2-1-/t15-,21+,22+/m1/s1
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ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


J Med Chem 38: 1608-28 (1995)


Article DOI: 10.1021/jm00010a005
BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%