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PubMed code 11858999

Compile data set for download or QSAR
Found 21 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))		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))		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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n/an/a 1n/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))		BDBM50110447
PNG
(CHEMBL352120 | ethyl 5-{[1-(3-{4-[6-(2-chloropheny...)
Show SMILES CCOC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(CCCCN2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)c1 |c:39|
Show InChI InChI=1S/C42H46ClN7O3S/c1-4-52-37(51)19-8-10-24-53-48-39(32-16-12-21-44-26-32)31-15-11-14-30(25-31)13-7-9-22-49-23-20-34-36(27-49)54-42-38(34)40(33-17-5-6-18-35(33)43)45-28(2)41-47-46-29(3)50(41)42/h5-6,11-12,14-18,21,25-26,28H,4,7-10,13,19-20,22-24,27H2,1-3H3/b48-39+
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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 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))		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 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))		BDBM50110446
PNG
(5-{[1-{3-[6-(2-chlorophenyl)-1,4-dimethyl-7,8,9,10...)
Show SMILES CC1N=C(c2c3CCN(Cc4cccc(c4)C(=N/OCCCCC(O)=O)\c4cccnc4)Cc3sc2-n2c(C)nnc12)c1ccccc1Cl |c:2|
Show InChI InChI=1S/C37H36ClN7O3S/c1-23-36-42-41-24(2)45(36)37-33(35(40-23)28-12-3-4-13-30(28)38)29-15-17-44(22-31(29)49-37)21-25-9-7-10-26(19-25)34(27-11-8-16-39-20-27)43-48-18-6-5-14-32(46)47/h3-4,7-13,16,19-20,23H,5-6,14-15,17-18,21-22H2,1-2H3,(H,46,47)/b43-34+
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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 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))		BDBM50110456
PNG
(5-([3-{1-[6-(2-chlorophenyl)-1,4-dimethyl-7,8,9,10...)
Show SMILES CCOC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(CCCC(=O)N2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)c1 |c:40|
Show InChI InChI=1S/C42H44ClN7O4S/c1-4-53-37(52)19-7-8-23-54-48-39(31-15-11-21-44-25-31)30-14-9-12-29(24-30)13-10-18-36(51)49-22-20-33-35(26-49)55-42-38(33)40(32-16-5-6-17-34(32)43)45-27(2)41-47-46-28(3)50(41)42/h5-6,9,11-12,14-17,21,24-25,27H,4,7-8,10,13,18-20,22-23,26H2,1-3H3/b48-39+
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n/an/a 41n/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))		BDBM50110457
PNG
(CHEMBL349982 | ethyl 5-{[1-(4-{2-[6-(2-chloropheny...)
Show SMILES CCOC(=O)CCCCO\N=C(/c1ccc(COCC(=O)N2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)cc1)c1cccnc1 |c:32|
Show InChI InChI=1S/C41H42ClN7O5S/c1-4-53-36(51)13-7-8-21-54-47-38(30-10-9-19-43-22-30)29-16-14-28(15-17-29)24-52-25-35(50)48-20-18-32-34(23-48)55-41-37(32)39(31-11-5-6-12-33(31)42)44-26(2)40-46-45-27(3)49(40)41/h5-6,9-12,14-17,19,22,26H,4,7-8,13,18,20-21,23-25H2,1-3H3/b47-38+
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n/an/a 58n/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))		BDBM50110452
PNG
(5-[(3-[1,4-dimethyl-6-(2-chloro-phenyl)-7,8,9,10-t...)
Show SMILES CCOC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(CN2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)c1 |c:36|
Show InChI InChI=1S/C39H40ClN7O3S/c1-4-49-34(48)16-7-8-20-50-45-36(29-13-10-18-41-22-29)28-12-9-11-27(21-28)23-46-19-17-31-33(24-46)51-39-35(31)37(30-14-5-6-15-32(30)40)42-25(2)38-44-43-26(3)47(38)39/h5-6,9-15,18,21-22,25H,4,7-8,16-17,19-20,23-24H2,1-3H3/b45-36+
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n/an/a 59n/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))		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 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))		BDBM50110443
PNG
(CHEMBL423993 | ethyl 5-{[1-{3-[6-(2-chlorophenyl)-...)
Show SMILES CCOC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(CN2CCc3c(C2)sc-2c3C(=NCc3nnc(C)n-23)c2ccccc2Cl)c1 |c:36|
Show InChI InChI=1S/C38H38ClN7O3S/c1-3-48-34(47)15-6-7-19-49-44-36(28-12-9-17-40-21-28)27-11-8-10-26(20-27)23-45-18-16-30-32(24-45)50-38-35(30)37(29-13-4-5-14-31(29)39)41-22-33-43-42-25(2)46(33)38/h4-5,8-14,17,20-21H,3,6-7,15-16,18-19,22-24H2,1-2H3/b44-36+
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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 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))		BDBM50110450
PNG
(6-(2-Chlorophenyl)-3-[3-[(E/Z)-6-ethoxycarbonyl-1-...)
Show SMILES CCOC(=O)CCCC\C=C(\c1cccnc1)c1cccc(CN2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)c1 |c:35|
Show InChI InChI=1S/C40H41ClN6O2S/c1-4-49-36(48)18-7-5-6-15-31(30-14-11-20-42-23-30)29-13-10-12-28(22-29)24-46-21-19-33-35(25-46)50-40-37(33)38(32-16-8-9-17-34(32)41)43-26(2)39-45-44-27(3)47(39)40/h8-17,20,22-23,26H,4-7,18-19,21,24-25H2,1-3H3/b31-15+
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n/an/a 68n/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))		BDBM50110449
PNG
(5-[(4-[1,4-dimethyl-6-(2-chloro-phenyl)-7,8,9,10-t...)
Show SMILES CCOC(=O)CCCCO\N=C(/c1ccc(CC(=O)N2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)cc1)c1cccnc1 |c:30|
Show InChI InChI=1S/C40H40ClN7O4S/c1-4-51-35(50)13-7-8-21-52-46-37(29-10-9-19-42-23-29)28-16-14-27(15-17-28)22-34(49)47-20-18-31-33(24-47)53-40-36(31)38(30-11-5-6-12-32(30)41)43-25(2)39-45-44-26(3)48(39)40/h5-6,9-12,14-17,19,23,25H,4,7-8,13,18,20-22,24H2,1-3H3/b46-37+
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n/an/a 69n/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))		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 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))		BDBM50110455
PNG
(6-(2-Chlorophenyl)-3-[4-[(E/Z)-6-ethoxycarbonyl-1-...)
Show SMILES CCOC(=O)CCCC\C=C(/c1ccc(CN2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)cc1)c1cccnc1 |c:27|
Show InChI InChI=1S/C40H41ClN6O2S/c1-4-49-36(48)15-7-5-6-12-31(30-11-10-21-42-23-30)29-18-16-28(17-19-29)24-46-22-20-33-35(25-46)50-40-37(33)38(32-13-8-9-14-34(32)41)43-26(2)39-45-44-27(3)47(39)40/h8-14,16-19,21,23,26H,4-7,15,20,22,24-25H2,1-3H3/b31-12+
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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 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))		BDBM50110451
PNG
(5-[(4-[1,4-dimethyl-6-(2-chloro-phenyl)-7,8,9,10-t...)
Show SMILES CCOC(=O)CCCCO\N=C(/c1ccc(CN2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)cc1)c1cccnc1 |c:28|
Show InChI InChI=1S/C39H40ClN7O3S/c1-4-49-34(48)13-7-8-21-50-45-36(29-10-9-19-41-22-29)28-16-14-27(15-17-28)23-46-20-18-31-33(24-46)51-39-35(31)37(30-11-5-6-12-32(30)40)42-25(2)38-44-43-26(3)47(38)39/h5-6,9-12,14-17,19,22,25H,4,7-8,13,18,20-21,23-24H2,1-3H3/b45-36+
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n/an/a 80n/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))		BDBM50110453
PNG
(2-(1,4-oxazinan-4-yl)ethyl 5-{[1-{3-[6-(2-chloroph...)
Show SMILES CC1N=C(c2c3CCN(Cc4cccc(c4)C(=N/OCCCCC(=O)OCCN4CCOCC4)\c4cccnc4)Cc3sc2-n2c(C)nnc12)c1ccccc1Cl |c:2|
Show InChI InChI=1S/C43H47ClN8O4S/c1-29-42-48-47-30(2)52(42)43-39(41(46-29)34-12-3-4-13-36(34)44)35-15-17-51(28-37(35)57-43)27-31-9-7-10-32(25-31)40(33-11-8-16-45-26-33)49-56-21-6-5-14-38(53)55-24-20-50-18-22-54-23-19-50/h3-4,7-13,16,25-26,29H,5-6,14-15,17-24,27-28H2,1-2H3/b49-40+
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n/an/a 151n/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))		BDBM50110444
PNG
(CHEMBL351562 | benzyl 5-{[1-{3-[6-(2-chlorophenyl)...)
Show SMILES CC1N=C(c2c3CCN(Cc4cccc(c4)C(=N/OCCCCC(=O)OCc4ccccc4)\c4cccnc4)Cc3sc2-n2c(C)nnc12)c1ccccc1Cl |c:2|
Show InChI InChI=1S/C44H42ClN7O3S/c1-29-43-49-48-30(2)52(43)44-40(42(47-29)35-17-6-7-18-37(35)45)36-20-22-51(27-38(36)56-44)26-32-14-10-15-33(24-32)41(34-16-11-21-46-25-34)50-55-23-9-8-19-39(53)54-28-31-12-4-3-5-13-31/h3-7,10-18,21,24-25,29H,8-9,19-20,22-23,26-28H2,1-2H3/b50-41+
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n/an/a 465n/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))		BDBM50110442
PNG
(1N-propyl-5-{[1-{3-[6-(2-chlorophenyl)-1,4-dimethy...)
Show SMILES CCCNC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(CN2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)c1 |c:37|
Show InChI InChI=1S/C40H43ClN8O2S/c1-4-18-43-35(50)16-7-8-21-51-47-37(30-13-10-19-42-23-30)29-12-9-11-28(22-29)24-48-20-17-32-34(25-48)52-40-36(32)38(31-14-5-6-15-33(31)41)44-26(2)39-46-45-27(3)49(39)40/h5-6,9-15,19,22-23,26H,4,7-8,16-18,20-21,24-25H2,1-3H3,(H,43,50)/b47-37+
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n/an/a 540n/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))		BDBM50110448
PNG
(3-(3-pyridyl)propyl 5-{[1-{3-[6-(2-chlorophenyl)-1...)
Show SMILES CC1N=C(c2c3CCN(Cc4cccc(c4)C(=N/OCCCCC(=O)OCCCc4cccnc4)\c4cccnc4)Cc3sc2-n2c(C)nnc12)c1ccccc1Cl |c:2|
Show InChI InChI=1S/C45H45ClN8O3S/c1-30-44-51-50-31(2)54(44)45-41(43(49-30)36-16-3-4-17-38(36)46)37-19-22-53(29-39(37)58-45)28-33-11-7-14-34(25-33)42(35-15-9-21-48-27-35)52-57-24-6-5-18-40(55)56-23-10-13-32-12-8-20-47-26-32/h3-4,7-9,11-12,14-17,20-21,25-27,30H,5-6,10,13,18-19,22-24,28-29H2,1-2H3/b52-42+
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n/an/a>1.00E+3n/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))		BDBM50110445
PNG
(2-(1,4-dimethyl-7,8,9,10-tetrahydro-4H-pyrido[4',3...)
Show SMILES CC1N=C(c2c3CCNCc3sc2-n2c(C)nnc12)c1ccccc1Cl |c:2|
Show InChI InChI=1S/C19H18ClN5S/c1-10-18-24-23-11(2)25(18)19-16(13-7-8-21-9-15(13)26-19)17(22-10)12-5-3-4-6-14(12)20/h3-6,10,21H,7-9H2,1-2H3
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n/an/a>1.00E+3n/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))		BDBM50110454
PNG
(5-[(2-[1,4-dimethyl-6-(2-chloro-phenyl)-7,8,9,10-t...)
Show SMILES CCOC(=O)CCCCO\N=C(\c1cccnc1)c1ccccc1C(=O)N1CCc2c(C1)sc-1c2C(=NC(C)c2nnc(C)n-12)c1ccccc1Cl |c:39|
Show InChI InChI=1S/C39H38ClN7O4S/c1-4-50-33(48)17-9-10-21-51-45-35(26-12-11-19-41-22-26)27-13-5-6-14-28(27)38(49)46-20-18-30-32(23-46)52-39-34(30)36(29-15-7-8-16-31(29)40)42-24(2)37-44-43-25(3)47(37)39/h5-8,11-16,19,22,24H,4,9-10,17-18,20-21,23H2,1-3H3/b45-35-
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n/an/a>1.00E+3n/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
* indicates data uncertainty>20%