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Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'long' and Initial = 'cj'   
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))
BDBM50060382
PNG
(3-[3-(2-Benzenesulfonylamino-ethyl)-5-imidazol-1-y...)
Show SMILES OC(=O)CCc1cc(CCNS(=O)(=O)c2ccccc2)cc(Cn2ccnc2)c1
Show InChI InChI=1S/C21H23N3O4S/c25-21(26)7-6-17-12-18(14-19(13-17)15-24-11-10-22-16-24)8-9-23-29(27,28)20-4-2-1-3-5-20/h1-5,10-14,16,23H,6-9,15H2,(H,25,26)
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n/an/a 18n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060379
PNG
(3-{3-[2-(4-Fluoro-benzenesulfonylamino)-ethyl]-5-p...)
Show SMILES OC(=O)CCc1cc(CCNS(=O)(=O)c2ccc(F)cc2)cc(Cc2cccnc2)c1
Show InChI InChI=1S/C23H23FN2O4S/c24-21-4-6-22(7-5-21)31(29,30)26-11-9-18-12-17(3-8-23(27)28)13-20(14-18)15-19-2-1-10-25-16-19/h1-2,4-7,10,12-14,16,26H,3,8-9,11,15H2,(H,27,28)
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n/an/a 20n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060389
PNG
(3-{3-[2-(sulfo-[dimethylamine]-amino)-ethyl]-5-pyr...)
Show SMILES CN(C)S(=O)(=O)NCCc1cc(CCC(O)=O)cc(Cc2cccnc2)c1
Show InChI InChI=1S/C19H25N3O4S/c1-22(2)27(25,26)21-9-7-16-10-15(5-6-19(23)24)11-18(12-16)13-17-4-3-8-20-14-17/h3-4,8,10-12,14,21H,5-7,9,13H2,1-2H3,(H,23,24)
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n/an/a 22n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060391
PNG
(3-{3-Pyridin-3-ylmethyl-5-[2-(pyrrolidine-1-sulfon...)
Show SMILES OC(=O)CCc1cc(CCNS(=O)(=O)N2CCCC2)cc(Cc2cccnc2)c1
Show InChI InChI=1S/C21H27N3O4S/c25-21(26)6-5-17-12-18(7-9-23-29(27,28)24-10-1-2-11-24)14-20(13-17)15-19-4-3-8-22-16-19/h3-4,8,12-14,16,23H,1-2,5-7,9-11,15H2,(H,25,26)
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n/an/a 22n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060372
PNG
(3-[3-(2-Benzoylamino-ethyl)-5-pyridin-3-ylmethyl-p...)
Show SMILES OC(=O)CCc1cc(CCNC(=O)c2ccccc2)cc(Cc2cccnc2)c1
Show InChI InChI=1S/C24H24N2O3/c27-23(28)9-8-18-13-19(10-12-26-24(29)22-6-2-1-3-7-22)15-21(14-18)16-20-5-4-11-25-17-20/h1-7,11,13-15,17H,8-10,12,16H2,(H,26,29)(H,27,28)
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n/an/a 22n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060387
PNG
(3-[3-(3-Benzenesulfonyl-propyl)-5-pyridin-3-ylmeth...)
Show SMILES OC(=O)CCc1cc(CCCS(=O)(=O)c2ccccc2)cc(Cc2cccnc2)c1
Show InChI InChI=1S/C24H25NO4S/c26-24(27)11-10-20-14-19(15-22(16-20)17-21-6-4-12-25-18-21)7-5-13-30(28,29)23-8-2-1-3-9-23/h1-4,6,8-9,12,14-16,18H,5,7,10-11,13,17H2,(H,26,27)
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n/an/a 27n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50000317
PNG
(3-(3-Imidazol-1-ylmethyl-2-methyl-indol-1-yl)-prop...)
Show SMILES Cc1c(Cn2ccnc2)c2ccccc2n1CCC(O)=O
Show InChI InChI=1S/C16H17N3O2/c1-12-14(10-18-9-7-17-11-18)13-4-2-3-5-15(13)19(12)8-6-16(20)21/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,21)
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n/an/a 28n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060377
PNG
(3-{3-[2-(sulfo-[diethylamine]-amino)-ethyl]-5-pyri...)
Show SMILES CCN(CC)S(=O)(=O)NCCc1cc(CCC(O)=O)cc(Cc2cccnc2)c1
Show InChI InChI=1S/C21H29N3O4S/c1-3-24(4-2)29(27,28)23-11-9-18-12-17(7-8-21(25)26)13-20(14-18)15-19-6-5-10-22-16-19/h5-6,10,12-14,16,23H,3-4,7-9,11,15H2,1-2H3,(H,25,26)
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n/an/a 29n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060388
PNG
(3-{3-[2-(Propane-1-sulfonylamino)-ethyl]-5-pyridin...)
Show SMILES CCCS(=O)(=O)NCCc1cc(CCC(O)=O)cc(Cc2cccnc2)c1
Show InChI InChI=1S/C20H26N2O4S/c1-2-10-27(25,26)22-9-7-17-11-16(5-6-20(23)24)12-19(13-17)14-18-4-3-8-21-15-18/h3-4,8,11-13,15,22H,2,5-7,9-10,14H2,1H3,(H,23,24)
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n/an/a 29n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060378
PNG
(3-[5-(4-Fluoro-benzenesulfonylamino)-3-imidazol-1-...)
Show SMILES OC(=O)CCn1cc(Cn2ccnc2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C21H19FN4O4S/c22-16-1-4-18(5-2-16)31(29,30)24-17-3-6-20-19(11-17)15(12-25-10-8-23-14-25)13-26(20)9-7-21(27)28/h1-6,8,10-11,13-14,24H,7,9,12H2,(H,27,28)
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n/an/a 34n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060385
PNG
(3-[3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-(...)
Show SMILES OC(=O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Oc2cccnc2)c1
Show InChI InChI=1S/C22H21ClN2O5S/c23-18-4-6-21(7-5-18)31(28,29)25-11-9-17-12-16(3-8-22(26)27)13-20(14-17)30-19-2-1-10-24-15-19/h1-2,4-7,10,12-15,25H,3,8-9,11H2,(H,26,27)
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n/an/a 37n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060395
PNG
(3-{3-Pyridin-3-ylmethyl-5-[2-(toluene-4-sulfonylam...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCc1cc(CCC(O)=O)cc(Cc2cccnc2)c1
Show InChI InChI=1S/C24H26N2O4S/c1-18-4-7-23(8-5-18)31(29,30)26-12-10-20-13-19(6-9-24(27)28)14-22(15-20)16-21-3-2-11-25-17-21/h2-5,7-8,11,13-15,17,26H,6,9-10,12,16H2,1H3,(H,27,28)
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n/an/a 37n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060390
PNG
(3-{3-[2-(sulfo-[p-chlorophenylamine]-amino)-ethyl]...)
Show SMILES OC(=O)CCc1cc(CCNS(=O)(=O)Nc2ccc(Cl)cc2)cc(Cc2cccnc2)c1
Show InChI InChI=1S/C23H24ClN3O4S/c24-21-4-6-22(7-5-21)27-32(30,31)26-11-9-18-12-17(3-8-23(28)29)13-20(14-18)15-19-2-1-10-25-16-19/h1-2,4-7,10,12-14,16,26-27H,3,8-9,11,15H2,(H,28,29)
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n/an/a 38n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060392
PNG
(3-[3-(2-Benzenesulfonylamino-ethyl)-5-(pyridin-3-y...)
Show SMILES OC(=O)CCc1cc(CCNS(=O)(=O)c2ccccc2)cc(Oc2cccnc2)c1
Show InChI InChI=1S/C22H22N2O5S/c25-22(26)9-8-17-13-18(15-20(14-17)29-19-5-4-11-23-16-19)10-12-24-30(27,28)21-6-2-1-3-7-21/h1-7,11,13-16,24H,8-10,12H2,(H,25,26)
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n/an/a 38n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060373
PNG
(3-{3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-i...)
Show SMILES OC(=O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Cn2ccnc2)c1
Show InChI InChI=1S/C21H22ClN3O4S/c22-19-2-4-20(5-3-19)30(28,29)24-8-7-17-11-16(1-6-21(26)27)12-18(13-17)14-25-10-9-23-15-25/h2-5,9-13,15,24H,1,6-8,14H2,(H,26,27)
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n/an/a 38n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060396
PNG
(3-[3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-(...)
Show SMILES CC(c1cccnc1)c1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(CCC(O)=O)c1
Show InChI InChI=1S/C24H25ClN2O4S/c1-17(20-3-2-11-26-16-20)21-14-18(4-9-24(28)29)13-19(15-21)10-12-27-32(30,31)23-7-5-22(25)6-8-23/h2-3,5-8,11,13-17,27H,4,9-10,12H2,1H3,(H,28,29)
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n/an/a 38n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060399
PNG
(3-{3-[2-(2,2-Dimethyl-propane-1-sulfonylamino)-eth...)
Show SMILES CC(C)(C)CS(=O)(=O)NCCc1cc(CCC(O)=O)cc(Cc2cccnc2)c1
Show InChI InChI=1S/C22H30N2O4S/c1-22(2,3)16-29(27,28)24-10-8-18-11-17(6-7-21(25)26)12-20(13-18)14-19-5-4-9-23-15-19/h4-5,9,11-13,15,24H,6-8,10,14,16H2,1-3H3,(H,25,26)
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n/an/a 39n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060398
PNG
(3-{1-[2-(4-Fluoro-benzenesulfonylamino)-ethyl]-3-i...)
Show SMILES Cc1c(Cn2ccnc2)c2cc(CCC(O)=O)ccc2n1CCNS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H25FN4O4S/c1-17-22(15-28-12-10-26-16-28)21-14-18(3-9-24(30)31)2-8-23(21)29(17)13-11-27-34(32,33)20-6-4-19(25)5-7-20/h2,4-8,10,12,14,16,27H,3,9,11,13,15H2,1H3,(H,30,31)
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n/an/a 39n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060375
PNG
(3-{3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-p...)
Show SMILES OC(=O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Cc2cccnc2)c1
Show InChI InChI=1S/C23H23ClN2O4S/c24-21-4-6-22(7-5-21)31(29,30)26-11-9-18-12-17(3-8-23(27)28)13-20(14-18)15-19-2-1-10-25-16-19/h1-2,4-7,10,12-14,16,26H,3,8-9,11,15H2,(H,27,28)
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n/an/a 39n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060397
PNG
(3-{3-[2-(Piperidine-1-sulfonylamino)-ethyl]-5-pyri...)
Show SMILES OC(=O)CCc1cc(CCNS(=O)(=O)N2CCCCC2)cc(Cc2cccnc2)c1
Show InChI InChI=1S/C22H29N3O4S/c26-22(27)7-6-18-13-19(15-21(14-18)16-20-5-4-9-23-17-20)8-10-24-30(28,29)25-11-2-1-3-12-25/h4-5,9,13-15,17,24H,1-3,6-8,10-12,16H2,(H,26,27)
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n/an/a 43n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060384
PNG
(3-[3-(2-Cyclohexanesulfonylamino-ethyl)-5-pyridin-...)
Show SMILES OC(=O)CCc1cc(CCNS(=O)(=O)C2CCCCC2)cc(Cc2cccnc2)c1
Show InChI InChI=1S/C23H30N2O4S/c26-23(27)9-8-18-13-19(15-21(14-18)16-20-5-4-11-24-17-20)10-12-25-30(28,29)22-6-2-1-3-7-22/h4-5,11,13-15,17,22,25H,1-3,6-10,12,16H2,(H,26,27)
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n/an/a 43n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060383
PNG
(3-[3-(2-Benzenesulfonylamino-ethyl)-5-pyridin-3-yl...)
Show SMILES OC(=O)CCc1cc(CCNS(=O)(=O)c2ccccc2)cc(Cc2cccnc2)c1
Show InChI InChI=1S/C23H24N2O4S/c26-23(27)9-8-18-13-19(15-21(14-18)16-20-5-4-11-24-17-20)10-12-25-30(28,29)22-6-2-1-3-7-22/h1-7,11,13-15,17,25H,8-10,12,16H2,(H,26,27)
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n/an/a 45n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50071225
PNG
(3-{3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-p...)
Show SMILES OC(=O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Cc2ccncc2)c1
Show InChI InChI=1S/C23H23ClN2O4S/c24-21-2-4-22(5-3-21)31(29,30)26-12-9-19-14-18(1-6-23(27)28)15-20(16-19)13-17-7-10-25-11-8-17/h2-5,7-8,10-11,14-16,26H,1,6,9,12-13H2,(H,27,28)
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n/an/a 47n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane A2 synthase from human platelet microsomes.


Bioorg Med Chem Lett 8: 2061-6 (1999)


BindingDB Entry DOI: 10.7270/Q24T6HJS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060393
PNG
(3-[3-(2-Benzenesulfonyl-ethyl)-5-pyridin-3-ylmethy...)
Show SMILES OC(=O)CCc1cc(CCS(=O)(=O)c2ccccc2)cc(Cc2cccnc2)c1
Show InChI InChI=1S/C23H23NO4S/c25-23(26)9-8-18-13-19(10-12-29(27,28)22-6-2-1-3-7-22)15-21(14-18)16-20-5-4-11-24-17-20/h1-7,11,13-15,17H,8-10,12,16H2,(H,25,26)
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n/an/a 48n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060380
PNG
(3-[5-(4-Fluoro-benzenesulfonylamino)-3-pyridin-3-y...)
Show SMILES OC(=O)CCn1cc(Cc2cccnc2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C23H20FN3O4S/c24-18-3-6-20(7-4-18)32(30,31)26-19-5-8-22-21(13-19)17(12-16-2-1-10-25-14-16)15-27(22)11-9-23(28)29/h1-8,10,13-15,26H,9,11-12H2,(H,28,29)
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n/an/a 48n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060374
PNG
(3-{3-[2-(4-Bromo-benzenesulfonylamino)-ethyl]-5-py...)
Show SMILES OC(=O)CCc1cc(CCNS(=O)(=O)c2ccc(Br)cc2)cc(Cc2cccnc2)c1
Show InChI InChI=1S/C23H23BrN2O4S/c24-21-4-6-22(7-5-21)31(29,30)26-11-9-18-12-17(3-8-23(27)28)13-20(14-18)15-19-2-1-10-25-16-19/h1-2,4-7,10,12-14,16,26H,3,8-9,11,15H2,(H,27,28)
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n/an/a 49n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060394
PNG
(3-[3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-(...)
Show SMILES OC(=O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(c1)C(=C)c1cccnc1
Show InChI InChI=1S/C24H23ClN2O4S/c1-17(20-3-2-11-26-16-20)21-14-18(4-9-24(28)29)13-19(15-21)10-12-27-32(30,31)23-7-5-22(25)6-8-23/h2-3,5-8,11,13-16,27H,1,4,9-10,12H2,(H,28,29)
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n/an/a 53n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060376
PNG
(3-(3-{2-[(4-Chloro-benzenesulfonyl)-methyl-amino]-...)
Show SMILES CN(CCc1cc(CCC(O)=O)cc(Cc2cccnc2)c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H25ClN2O4S/c1-27(32(30,31)23-7-5-22(25)6-8-23)12-10-19-13-18(4-9-24(28)29)14-21(15-19)16-20-3-2-11-26-17-20/h2-3,5-8,11,13-15,17H,4,9-10,12,16H2,1H3,(H,28,29)
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n/an/a 54n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060386
PNG
(3-[3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-(...)
Show SMILES CC(O)(c1cccnc1)c1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(CCC(O)=O)c1
Show InChI InChI=1S/C24H25ClN2O5S/c1-24(30,19-3-2-11-26-16-19)20-14-17(4-9-23(28)29)13-18(15-20)10-12-27-33(31,32)22-7-5-21(25)6-8-22/h2-3,5-8,11,13-16,27,30H,4,9-10,12H2,1H3,(H,28,29)
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n/an/a 61n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060381
PNG
(3-{1-[2-(4-Fluoro-benzenesulfonylamino)-ethyl]-2-m...)
Show SMILES Cc1c(Cc2cccnc2)c2cc(CCC(O)=O)ccc2n1CCNS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H26FN3O4S/c1-18-23(16-20-3-2-12-28-17-20)24-15-19(5-11-26(31)32)4-10-25(24)30(18)14-13-29-35(33,34)22-8-6-21(27)7-9-22/h2-4,6-10,12,15,17,29H,5,11,13-14,16H2,1H3,(H,31,32)
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n/an/a 61n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)


Article DOI: 10.1021/jm9702793
BindingDB Entry DOI: 10.7270/Q2Z0378X
More data for this
Ligand-Target Pair