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PubMed code 11814792

Compile data set for download or QSAR
Found 18 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-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))		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))		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))		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))		BDBM50109128
PNG
(5-[1-Pyridin-3-yl-1-{4-[(3-pyridin-3-yl-1H-pyrrolo...)
Show SMILES CCOC(=O)CCCCO\N=C(/c1ccc(NC(=O)c2ccn3C(SCc23)c2cccnc2)cc1)c1cccnc1
Show InChI InChI=1S/C31H31N5O4S/c1-2-39-28(37)9-3-4-18-40-35-29(23-7-5-15-32-19-23)22-10-12-25(13-11-22)34-30(38)26-14-17-36-27(26)21-41-31(36)24-8-6-16-33-20-24/h5-8,10-17,19-20,31H,2-4,9,18,21H2,1H3,(H,34,38)/b35-29+
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n/an/a 3.60n/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))		BDBM50109132
PNG
(5-[1-(3-{[4-(2-Methyl-imidazo[4,5-c]pyridin-1-ylme...)
Show SMILES CCOC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(CNS(=O)(=O)c2ccc(Cn3c(C)nc4cnccc34)cc2)c1
Show InChI InChI=1S/C34H36N6O5S/c1-3-44-33(41)11-4-5-19-45-39-34(29-10-7-17-35-22-29)28-9-6-8-27(20-28)21-37-46(42,43)30-14-12-26(13-15-30)24-40-25(2)38-31-23-36-18-16-32(31)40/h6-10,12-18,20,22-23,37H,3-5,11,19,21,24H2,1-2H3/b39-34+
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n/an/a 4.70n/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))		BDBM50404012
PNG
(CHEMBL2111765)
Show SMILES CCOC(=O)CCCCO\N=C(/c1cccnc1)c1cccc(CNS(=O)(=O)c2ccc(Cn3c(C)nc4cnccc34)cc2)c1
Show InChI InChI=1S/C34H36N6O5S/c1-3-44-33(41)11-4-5-19-45-39-34(29-10-7-17-35-22-29)28-9-6-8-27(20-28)21-37-46(42,43)30-14-12-26(13-15-30)24-40-25(2)38-31-23-36-18-16-32(31)40/h6-10,12-18,20,22-23,37H,3-5,11,19,21,24H2,1-2H3/b39-34-
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n/an/a 5.80n/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))		BDBM50109137
PNG
(5-[1-Pyridin-3-yl-1-{3-[4-(2-pyridin-3-yl-thiazoli...)
Show SMILES OC(=O)CCCCO\N=C(/c1cccnc1)c1cccc(CN2CCN(CC2)C(=O)C2CSC(N2)c2cccnc2)c1
Show InChI InChI=1S/C31H36N6O4S/c38-28(39)10-1-2-17-41-35-29(25-8-4-11-32-19-25)24-7-3-6-23(18-24)21-36-13-15-37(16-14-36)31(40)27-22-42-30(34-27)26-9-5-12-33-20-26/h3-9,11-12,18-20,27,30,34H,1-2,10,13-17,21-22H2,(H,38,39)/b35-29-
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n/an/a 12n/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))		BDBM50109131
PNG
(5-[1-Pyridin-3-yl-1-{3-[(2-pyridin-3-yl-thiazolidi...)
Show SMILES CCOC(=O)CCCCO\N=C(/c1cccnc1)c1cccc(NC(=O)C2CSC(N2)c2cccnc2)c1
Show InChI InChI=1S/C28H31N5O4S/c1-2-36-25(34)12-3-4-15-37-33-26(21-9-6-13-29-17-21)20-8-5-11-23(16-20)31-27(35)24-19-38-28(32-24)22-10-7-14-30-18-22/h5-11,13-14,16-18,24,28,32H,2-4,12,15,19H2,1H3,(H,31,35)/b33-26-
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n/an/a 21n/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))		BDBM50109126
PNG
(5-[1-Pyridin-3-yl-1-{4-[(2-pyridin-3-yl-thiazolidi...)
Show SMILES CCOC(=O)CCCCO\N=C(/c1ccc(NC(=O)C2CSC(N2)c2cccnc2)cc1)c1cccnc1
Show InChI InChI=1S/C28H31N5O4S/c1-2-36-25(34)9-3-4-16-37-33-26(21-7-5-14-29-17-21)20-10-12-23(13-11-20)31-27(35)24-19-38-28(32-24)22-8-6-15-30-18-22/h5-8,10-15,17-18,24,28,32H,2-4,9,16,19H2,1H3,(H,31,35)/b33-26+
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n/an/a 21n/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))		BDBM50017896
PNG
((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...)
Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
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n/an/a 24n/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))		BDBM50109135
PNG
(5-[1-Pyridin-3-yl-1-{4-[4-(2-pyridin-3-yl-thiazoli...)
Show SMILES CCOC(=O)CCCCO\N=C(/c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C1CSC(N1)c1cccnc1)c1cccnc1
Show InChI InChI=1S/C33H38N6O5S/c1-2-43-29(40)9-3-4-20-44-37-30(26-7-5-14-34-21-26)24-10-12-25(13-11-24)32(41)38-16-18-39(19-17-38)33(42)28-23-45-31(36-28)27-8-6-15-35-22-27/h5-8,10-15,21-22,28,31,36H,2-4,9,16-20,23H2,1H3/b37-30+
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n/an/a 44n/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))		BDBM50109130
PNG
(5-[1-Pyridin-3-yl-1-{3-[4-(2-pyridin-3-yl-thiazoli...)
Show SMILES CCOC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(c1)C(=O)N1CCN(CC1)C(=O)C1CSC(N1)c1cccnc1
Show InChI InChI=1S/C33H38N6O5S/c1-2-43-29(40)12-3-4-19-44-37-30(26-10-6-13-34-21-26)24-8-5-9-25(20-24)32(41)38-15-17-39(18-16-38)33(42)28-23-45-31(36-28)27-11-7-14-35-22-27/h5-11,13-14,20-22,28,31,36H,2-4,12,15-19,23H2,1H3/b37-30+
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n/an/a 52n/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))		BDBM50109127
PNG
(5-[(3-[1,4-dimethyl-6-(2-chloro-phenyl)-7,8,9,10-t...)
Show SMILES CCOC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(c1)C(=O)N1CCc2c(C1)sc-1c2C(=NC(C)c2nnc(C)n-12)c1ccccc1Cl |c:39|
Show InChI InChI=1S/C39H38ClN7O4S/c1-4-50-33(48)16-7-8-20-51-45-35(28-13-10-18-41-22-28)26-11-9-12-27(21-26)38(49)46-19-17-30-32(23-46)52-39-34(30)36(29-14-5-6-15-31(29)40)42-24(2)37-44-43-25(3)47(37)39/h5-6,9-15,18,21-22,24H,4,7-8,16-17,19-20,23H2,1-3H3/b45-35+
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n/an/a 65n/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))		BDBM50109129
PNG
(5-[(4-[1,4-dimethyl-6-(2-chloro-phenyl)-7,8,9,10-t...)
Show SMILES CCOC(=O)CCCCO\N=C(/c1ccc(cc1)C(=O)N1CCc2c(C1)sc-1c2C(=NC(C)c2nnc(C)n-12)c1ccccc1Cl)c1cccnc1 |c:32|
Show InChI InChI=1S/C39H38ClN7O4S/c1-4-50-33(48)13-7-8-21-51-45-35(28-10-9-19-41-22-28)26-14-16-27(17-15-26)38(49)46-20-18-30-32(23-46)52-39-34(30)36(29-11-5-6-12-31(29)40)42-24(2)37-44-43-25(3)47(37)39/h5-6,9-12,14-17,19,22,24H,4,7-8,13,18,20-21,23H2,1-3H3/b45-35+
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n/an/a 72n/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))		BDBM50109136
PNG
(5-[1-Pyridin-3-yl-1-{4-[4-(2-pyridin-3-yl-thiazoli...)
Show SMILES CCOC(=O)CCCCO\N=C(/c1ccc(CN2CCN(CC2)C(=O)C2CSC(N2)c2cccnc2)cc1)c1cccnc1
Show InChI InChI=1S/C33H40N6O4S/c1-2-42-30(40)9-3-4-20-43-37-31(27-7-5-14-34-21-27)26-12-10-25(11-13-26)23-38-16-18-39(19-17-38)33(41)29-24-44-32(36-29)28-8-6-15-35-22-28/h5-8,10-15,21-22,29,32,36H,2-4,9,16-20,23-24H2,1H3/b37-31+
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n/an/a 72n/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))		BDBM50109125
PNG
(5-[1-Pyridin-3-yl-1-{3-[4-(2-pyridin-3-yl-thiazoli...)
Show SMILES CCOC(=O)CCCCO\N=C(/c1cccnc1)c1cccc(CN2CCN(CC2)C(=O)C2CSC(N2)c2cccnc2)c1
Show InChI InChI=1S/C33H40N6O4S/c1-2-42-30(40)12-3-4-19-43-37-31(27-10-6-13-34-21-27)26-9-5-8-25(20-26)23-38-15-17-39(18-16-38)33(41)29-24-44-32(36-29)28-11-7-14-35-22-28/h5-11,13-14,20-22,29,32,36H,2-4,12,15-19,23-24H2,1H3/b37-31-
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n/an/a 88n/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))		BDBM50109133
PNG
(5-[1-Pyridin-3-yl-1-{2-[4-(2-pyridin-3-yl-thiazoli...)
Show SMILES CCOC(=O)CCCCO\N=C(\c1cccnc1)c1ccccc1C(=O)N1CCN(CC1)C(=O)C1CSC(N1)c1cccnc1
Show InChI InChI=1S/C33H38N6O5S/c1-2-43-29(40)13-5-6-20-44-37-30(24-9-7-14-34-21-24)26-11-3-4-12-27(26)32(41)38-16-18-39(19-17-38)33(42)28-23-45-31(36-28)25-10-8-15-35-22-25/h3-4,7-12,14-15,21-22,28,31,36H,2,5-6,13,16-20,23H2,1H3/b37-30-
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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
* indicates data uncertainty>20%