BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 175 hits with Last Name = 'müller' and Initial = 'th'   
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))
BDBM50043839
PNG
((E)-6-[2-(4-Fluoro-benzenesulfonylamino)-indan-5-y...)
Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H25FN2O4S/c27-22-9-11-24(12-10-22)34(32,33)29-23-15-18-7-8-19(14-21(18)16-23)25(5-1-2-6-26(30)31)20-4-3-13-28-17-20/h3-5,7-14,17,23,29H,1-2,6,15-16H2,(H,30,31)/b25-5+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043826
PNG
(6-{4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-phe...)
Show SMILES OC(=O)CCCCC(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C25H27ClN2O4S/c26-22-11-13-23(14-12-22)33(31,32)28-17-15-19-7-9-20(10-8-19)24(5-1-2-6-25(29)30)21-4-3-16-27-18-21/h3-4,7-14,16,18,24,28H,1-2,5-6,15,17H2,(H,29,30)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50075618
PNG
(6-{3-[2-cyano-1-cyclopentylamino-(E)-1-iminomethyl...)
Show SMILES OC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NC2CCCC2)=NC#N)c1 |w:27.29,6.5|
Show InChI InChI=1S/C24H27N5O2/c25-17-27-24(28-20-9-1-2-10-20)29-21-11-5-7-18(15-21)22(12-3-4-13-23(30)31)19-8-6-14-26-16-19/h5-8,11-12,14-16,20H,1-4,9-10,13H2,(H,30,31)(H2,27,28,29)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50075637
PNG
(6-{3-[2-cyano-1-isopentylamino-(E)-1-iminomethylam...)
Show SMILES CC(C)CCNC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC#N |w:28.30,15.16|
Show InChI InChI=1S/C24H29N5O2/c1-18(2)12-14-27-24(28-17-25)29-21-9-5-7-19(15-21)22(10-3-4-11-23(30)31)20-8-6-13-26-16-20/h5-10,13,15-16,18H,3-4,11-12,14H2,1-2H3,(H,30,31)(H2,27,28,29)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50075644
PNG
((E)-6-[3-({[(E)-Benzenesulfonylimino]-tert-butylam...)
Show SMILES CC(C)(C)N=C(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)NS(=O)(=O)c1ccccc1 |w:4.3,14.15|
Show InChI InChI=1S/C28H32N4O4S/c1-28(2,3)31-27(32-37(35,36)24-14-5-4-6-15-24)30-23-13-9-11-21(19-23)25(16-7-8-17-26(33)34)22-12-10-18-29-20-22/h4-6,9-16,18-20H,7-8,17H2,1-3H3,(H,33,34)(H2,30,31,32)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50075630
PNG
(6-{3-[1-(1-adamantylamino)-2-cyano-(E)-1-iminometh...)
Show SMILES OC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NC23CC4CC(CC(C4)C2)C3)=NC#N)c1 |w:32.36,6.5,TLB:29:28:31:24.23.25,29:24:31:28.30.27,25:26:30:24.23.29,THB:25:24:30:26.31.27|
Show InChI InChI=1S/C29H33N5O2/c30-19-32-28(34-29-15-20-11-21(16-29)13-22(12-20)17-29)33-25-7-3-5-23(14-25)26(8-1-2-9-27(35)36)24-6-4-10-31-18-24/h3-8,10,14,18,20-22H,1-2,9,11-13,15-17H2,(H,35,36)(H2,32,33,34)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50075645
PNG
(6-{3-[2-cyano-1-cyclohexylamino-(E)-1-iminomethyla...)
Show SMILES OC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NC2CCCCC2)=NC#N)c1 |w:28.30,6.5|
Show InChI InChI=1S/C25H29N5O2/c26-18-28-25(29-21-10-2-1-3-11-21)30-22-12-6-8-19(16-22)23(13-4-5-14-24(31)32)20-9-7-15-27-17-20/h6-9,12-13,15-17,21H,1-5,10-11,14H2,(H,31,32)(H2,28,29,30)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50075643
PNG
((E)-6-[3-(1-tert-Butylamino-2,2-dicyano-vinylamino...)
Show SMILES CC(C)(C)N=C(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)C(C#N)C#N |w:4.3,14.15|
Show InChI InChI=1S/C25H27N5O2/c1-25(2,3)30-24(20(15-26)16-27)29-21-10-6-8-18(14-21)22(11-4-5-12-23(31)32)19-9-7-13-28-17-19/h6-11,13-14,17,20H,4-5,12H2,1-3H3,(H,29,30)(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 receptor antagonism in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
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+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem

Similars

DrugBank
PubMed
n/an/a 4n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
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+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem

Similars

DrugBank
PubMed
n/an/a 4n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043827
PNG
((E)-6-(4-{2-[(4-Chloro-benzenesulfonyl)-(2-morphol...)
Show SMILES OC(=O)CCC\C=C(/c1ccc(CCN(CCN2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C31H36ClN3O5S/c32-28-11-13-29(14-12-28)41(38,39)35(19-18-34-20-22-40-23-21-34)17-15-25-7-9-26(10-8-25)30(5-1-2-6-31(36)37)27-4-3-16-33-24-27/h3-5,7-14,16,24H,1-2,6,15,17-23H2,(H,36,37)/b30-5+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043829
PNG
((E)-6-{3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]...)
Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C25H25ClN2O4S/c26-22-10-12-23(13-11-22)33(31,32)28-16-14-19-5-3-6-20(17-19)24(8-1-2-9-25(29)30)21-7-4-15-27-18-21/h3-8,10-13,15,17-18,28H,1-2,9,14,16H2,(H,29,30)/b24-8+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043841
PNG
((E)-6-{4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]...)
Show SMILES OC(=O)CCC\C=C(/c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C25H25ClN2O4S/c26-22-11-13-23(14-12-22)33(31,32)28-17-15-19-7-9-20(10-8-19)24(5-1-2-6-25(29)30)21-4-3-16-27-18-21/h3-5,7-14,16,18,28H,1-2,6,15,17H2,(H,29,30)/b24-5+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043856
PNG
((Z)-6-{5-[2-(4-Fluoro-benzenesulfonylamino)-ethyl]...)
Show SMILES Cn1c(CCNS(=O)(=O)c2ccc(F)cc2)ccc1\C(=C/CCCC(O)=O)c1cccnc1
Show InChI InChI=1S/C24H26FN3O4S/c1-28-20(14-16-27-33(31,32)21-11-8-19(25)9-12-21)10-13-23(28)22(6-2-3-7-24(29)30)18-5-4-15-26-17-18/h4-6,8-13,15,17,27H,2-3,7,14,16H2,1H3,(H,29,30)/b22-6-
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043847
PNG
(3-((E)-2-{4-[2-(4-Chloro-benzenesulfonylamino)-eth...)
Show SMILES OC(=O)c1cccc(\C=C(/c2ccc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc2)c2cccnc2)c1
Show InChI InChI=1S/C28H23ClN2O4S/c29-25-10-12-26(13-11-25)36(34,35)31-16-14-20-6-8-22(9-7-20)27(24-5-2-15-30-19-24)18-21-3-1-4-23(17-21)28(32)33/h1-13,15,17-19,31H,14,16H2,(H,32,33)/b27-18+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043851
PNG
((E)-6-(4-{2-[(4-Chloro-benzenesulfonyl)-ethyl-amin...)
Show SMILES CCN(CCc1ccc(cc1)C(=C/CCCC(O)=O)\c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H29ClN2O4S/c1-2-30(35(33,34)25-15-13-24(28)14-16-25)19-17-21-9-11-22(12-10-21)26(7-3-4-8-27(31)32)23-6-5-18-29-20-23/h5-7,9-16,18,20H,2-4,8,17,19H2,1H3,(H,31,32)/b26-7+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043868
PNG
((E)-6-{4-[2-(4-Fluoro-benzenesulfonylamino)-ethyl]...)
Show SMILES OC(=O)CCC\C=C(/c1ccc(CCNS(=O)(=O)c2ccc(F)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C25H25FN2O4S/c26-22-11-13-23(14-12-22)33(31,32)28-17-15-19-7-9-20(10-8-19)24(5-1-2-6-25(29)30)21-4-3-16-27-18-21/h3-5,7-14,16,18,28H,1-2,6,15,17H2,(H,29,30)/b24-5+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50075634
PNG
((E)-6-[3-(3-tert-Butyl-ureido)-phenyl]-6-pyridin-3...)
Show SMILES CC(C)(C)NC(=O)Nc1cccc(c1)C(=C/CCCC(O)=O)\c1cccnc1
Show InChI InChI=1S/C22H27N3O3/c1-22(2,3)25-21(28)24-18-10-6-8-16(14-18)19(11-4-5-12-20(26)27)17-9-7-13-23-15-17/h6-11,13-15H,4-5,12H2,1-3H3,(H,26,27)(H2,24,25,28)/b19-11+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043841
PNG
((E)-6-{4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]...)
Show SMILES OC(=O)CCC\C=C(/c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C25H25ClN2O4S/c26-22-11-13-23(14-12-22)33(31,32)28-17-15-19-7-9-20(10-8-19)24(5-1-2-6-25(29)30)21-4-3-16-27-18-21/h3-5,7-14,16,18,28H,1-2,6,15,17H2,(H,29,30)/b24-5+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50075624
PNG
(6-{3-[1-(tert-butylamino)-2-cyano-(E)-1-iminomethy...)
Show SMILES CC(C)(C)NC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC#N |w:27.29,14.15|
Show InChI InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50075636
PNG
((E)-6-[3-(N'-Benzoyl-N''-cyclopentyl-guanidino)-ph...)
Show SMILES OC(=O)CCCC=C(c1cccnc1)c1cccc(c1)N=C(NC1CCCC1)NC(=O)c1ccccc1 |w:20.21,6.5|
Show InChI InChI=1S/C30H32N4O3/c35-28(36)18-7-6-17-27(24-13-9-19-31-21-24)23-12-8-16-26(20-23)33-30(32-25-14-4-5-15-25)34-29(37)22-10-2-1-3-11-22/h1-3,8-13,16-17,19-21,25H,4-7,14-15,18H2,(H,35,36)(H2,32,33,34,37)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
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+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem

Similars

DrugBank
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043838
PNG
((E)-6-{3-[(4-Chloro-benzenesulfonylamino)-methyl]-...)
Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CNS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H23ClN2O4S/c25-21-10-12-22(13-11-21)32(30,31)27-16-18-5-3-6-19(15-18)23(8-1-2-9-24(28)29)20-7-4-14-26-17-20/h3-8,10-15,17,27H,1-2,9,16H2,(H,28,29)/b23-8+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043843
PNG
((E)-6-Pyridin-3-yl-6-{4-[2-(toluene-4-sulfonylamin...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)C(=C/CCCC(O)=O)\c1cccnc1
Show InChI InChI=1S/C26H28N2O4S/c1-20-8-14-24(15-9-20)33(31,32)28-18-16-21-10-12-22(13-11-21)25(6-2-3-7-26(29)30)23-5-4-17-27-19-23/h4-6,8-15,17,19,28H,2-3,7,16,18H2,1H3,(H,29,30)/b25-6+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043833
PNG
((E)-6-{4-[2-(4-Methoxy-benzenesulfonylamino)-ethyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)C(=C/CCCC(O)=O)\c1cccnc1
Show InChI InChI=1S/C26H28N2O5S/c1-33-23-12-14-24(15-13-23)34(31,32)28-18-16-20-8-10-21(11-9-20)25(6-2-3-7-26(29)30)22-5-4-17-27-19-22/h4-6,8-15,17,19,28H,2-3,7,16,18H2,1H3,(H,29,30)/b25-6+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043850
PNG
((E)-6-{4-[2-(Butane-1-sulfonylamino)-ethyl]-phenyl...)
Show SMILES CCCCS(=O)(=O)NCCc1ccc(cc1)C(=C/CCCC(O)=O)\c1cccnc1
Show InChI InChI=1S/C23H30N2O4S/c1-2-3-17-30(28,29)25-16-14-19-10-12-20(13-11-19)22(8-4-5-9-23(26)27)21-7-6-15-24-18-21/h6-8,10-13,15,18,25H,2-5,9,14,16-17H2,1H3,(H,26,27)/b22-8+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043844
PNG
((E)-6-[4-(4-Chloro-benzenesulfonylamino)-phenyl]-6...)
Show SMILES OC(=O)CCC\C=C(/c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C23H21ClN2O4S/c24-19-9-13-21(14-10-19)31(29,30)26-20-11-7-17(8-12-20)22(5-1-2-6-23(27)28)18-4-3-15-25-16-18/h3-5,7-16,26H,1-2,6H2,(H,27,28)/b22-5+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043858
PNG
((E)-6-[4-(2-Benzenesulfonylamino-ethyl)-phenyl]-6-...)
Show SMILES OC(=O)CCC\C=C(/c1ccc(CCNS(=O)(=O)c2ccccc2)cc1)c1cccnc1
Show InChI InChI=1S/C25H26N2O4S/c28-25(29)11-5-4-10-24(22-7-6-17-26-19-22)21-14-12-20(13-15-21)16-18-27-32(30,31)23-8-2-1-3-9-23/h1-3,6-10,12-15,17,19,27H,4-5,11,16,18H2,(H,28,29)/b24-10+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043845
PNG
((E)-6-[4-(2-Phenylmethanesulfonylamino-ethyl)-phen...)
Show SMILES OC(=O)CCC\C=C(/c1ccc(CCNS(=O)(=O)Cc2ccccc2)cc1)c1cccnc1
Show InChI InChI=1S/C26H28N2O4S/c29-26(30)11-5-4-10-25(24-9-6-17-27-19-24)23-14-12-21(13-15-23)16-18-28-33(31,32)20-22-7-2-1-3-8-22/h1-3,6-10,12-15,17,19,28H,4-5,11,16,18,20H2,(H,29,30)/b25-10+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043852
PNG
((E)-6-(4-{2-[Carbamoylmethyl-(4-chloro-benzenesulf...)
Show SMILES NC(=O)CN(CCc1ccc(cc1)C(=C/CCCC(O)=O)\c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28ClN3O5S/c28-23-11-13-24(14-12-23)37(35,36)31(19-26(29)32)17-15-20-7-9-21(10-8-20)25(5-1-2-6-27(33)34)22-4-3-16-30-18-22/h3-5,7-14,16,18H,1-2,6,15,17,19H2,(H2,29,32)(H,33,34)/b25-5+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043855
PNG
((E)-6-{4-[2-(3,4-Dimethoxy-benzenesulfonylamino)-e...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)NCCc1ccc(cc1)C(=C/CCCC(O)=O)\c1cccnc1
Show InChI InChI=1S/C27H30N2O6S/c1-34-25-14-13-23(18-26(25)35-2)36(32,33)29-17-15-20-9-11-21(12-10-20)24(7-3-4-8-27(30)31)22-6-5-16-28-19-22/h5-7,9-14,16,18-19,29H,3-4,8,15,17H2,1-2H3,(H,30,31)/b24-7+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50075631
PNG
(5-[2-{3-[1-(tert-butylamino)-2-cyano-(Z)-1-iminome...)
Show SMILES CC(C)(C)NC(Nc1cccc(c1)C(=N/OCCCCC(O)=O)\c1cccnc1)=NC#N |w:29.31|
Show InChI InChI=1S/C23H28N6O3/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)21(18-9-7-12-25-15-18)29-32-13-5-4-11-20(30)31/h6-10,12,14-15H,4-5,11,13H2,1-3H3,(H,30,31)(H2,26,27,28)/b29-21+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50075632
PNG
(8-{3-[1-(tert-butylamino)-2-cyano-(Z)-1-iminomethy...)
Show SMILES CC(C)(C)NC(Nc1cccc(c1)C(=CCCCCCC(O)=O)c1cccnc1)=NC#N |w:29.31,14.15|
Show InChI InChI=1S/C25H31N5O2/c1-25(2,3)30-24(28-18-26)29-21-12-8-10-19(16-21)22(20-11-9-15-27-17-20)13-6-4-5-7-14-23(31)32/h8-13,15-17H,4-7,14H2,1-3H3,(H,31,32)(H2,28,29,30)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
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)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 6n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
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)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 6n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043848
PNG
((E)-6-Pyridin-3-yl-6-{4-[2-(4-trifluoromethyl-benz...)
Show SMILES OC(=O)CCC\C=C(/c1ccc(CCNS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
Show InChI InChI=1S/C26H25F3N2O4S/c27-26(28,29)22-11-13-23(14-12-22)36(34,35)31-17-15-19-7-9-20(10-8-19)24(5-1-2-6-25(32)33)21-4-3-16-30-18-21/h3-5,7-14,16,18,31H,1-2,6,15,17H2,(H,32,33)/b24-5+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 6n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Displacement of the high affinity radiolabeled ligand [3H]- SQ-29,548 from the PGH-2/TXA-2 receptor in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50075625
PNG
(7-{3-[1-(tert-butylamino)-2-cyano-(Z)-1-iminomethy...)
Show SMILES CC(C)(C)NC(Nc1cccc(c1)C(=CCCCCC(O)=O)c1cccnc1)=NC#N |w:28.30,14.15|
Show InChI InChI=1S/C24H29N5O2/c1-24(2,3)29-23(27-17-25)28-20-11-7-9-18(15-20)21(19-10-8-14-26-16-19)12-5-4-6-13-22(30)31/h7-12,14-16H,4-6,13H2,1-3H3,(H,30,31)(H2,27,28,29)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043828
PNG
((E)-6-[3-(4-Chloro-benzenesulfonylamino)-phenyl]-6...)
Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C23H21ClN2O4S/c24-19-10-12-21(13-11-19)31(29,30)26-20-7-3-5-17(15-20)22(8-1-2-9-23(27)28)18-6-4-14-25-16-18/h3-8,10-16,26H,1-2,9H2,(H,27,28)/b22-8+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043832
PNG
((E)-6-{4-[(4-Chloro-benzenesulfonylamino)-methyl]-...)
Show SMILES OC(=O)CCC\C=C(/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C24H23ClN2O4S/c25-21-11-13-22(14-12-21)32(30,31)27-16-18-7-9-19(10-8-18)23(5-1-2-6-24(28)29)20-4-3-15-26-17-20/h3-5,7-15,17,27H,1-2,6,16H2,(H,28,29)/b23-5+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50075641
PNG
(6-{3-[2-cyano-1-isobutylamino-(E)-1-iminomethylami...)
Show SMILES CC(C)CNC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC#N |w:27.29,14.15|
Show InChI InChI=1S/C23H27N5O2/c1-17(2)14-26-23(27-16-24)28-20-9-5-7-18(13-20)21(10-3-4-11-22(29)30)19-8-6-12-25-15-19/h5-10,12-13,15,17H,3-4,11,14H2,1-2H3,(H,29,30)(H2,26,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 receptor antagonism in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043849
PNG
((E)-6-[6-(4-Chloro-benzenesulfonylamino)-5,6,7,8-t...)
Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1ccc2CC(CCc2c1)NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27ClN2O4S/c28-23-10-13-25(14-11-23)35(33,34)30-24-12-9-19-16-21(8-7-20(19)17-24)26(5-1-2-6-27(31)32)22-4-3-15-29-18-22/h3-5,7-8,10-11,13-16,18,24,30H,1-2,6,9,12,17H2,(H,31,32)/b26-5+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50043839
PNG
((E)-6-[2-(4-Fluoro-benzenesulfonylamino)-indan-5-y...)
Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H25FN2O4S/c27-22-9-11-24(12-10-22)34(32,33)29-23-15-18-7-8-19(14-21(18)16-23)25(5-1-2-6-26(30)31)20-4-3-13-28-17-20/h3-5,7-14,17,23,29H,1-2,6,15-16H2,(H,30,31)/b25-5+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Displacement of the high affinity radiolabeled ligand [3H]- SQ-29,548 from the PGH-2/TXA-2 receptor in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50075624
PNG
(6-{3-[1-(tert-butylamino)-2-cyano-(E)-1-iminomethy...)
Show SMILES CC(C)(C)NC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC#N |w:27.29,14.15|
Show InChI InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 receptor antagonism in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50075623
PNG
(6-{3-[1-benzylamino-2-cyano-(E)-1-iminomethylamino...)
Show SMILES OC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NCc2ccccc2)=NC#N)c1 |w:29.31,6.5|
Show InChI InChI=1S/C26H25N5O2/c27-19-30-26(29-17-20-8-2-1-3-9-20)31-23-12-6-10-21(16-23)24(13-4-5-14-25(32)33)22-11-7-15-28-18-22/h1-3,6-13,15-16,18H,4-5,14,17H2,(H,32,33)(H2,29,30,31)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50043824
PNG
(4-Chloro-N-(2-{4-[(E)-1-pyridin-3-yl-5-(1H-tetrazo...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)C(=CCCCc1nnn[nH]1)c1cccnc1 |w:20.22|
Show InChI InChI=1S/C25H25ClN6O2S/c26-22-11-13-23(14-12-22)35(33,34)28-17-15-19-7-9-20(10-8-19)24(21-4-3-16-27-18-21)5-1-2-6-25-29-31-32-30-25/h3-5,7-14,16,18,28H,1-2,6,15,17H2,(H,29,30,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 12n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Displacement of the high affinity radiolabeled ligand [3H]- SQ-29,548 from the PGH-2/TXA-2 receptor in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50043829
PNG
((E)-6-{3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]...)
Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C25H25ClN2O4S/c26-22-10-12-23(13-11-22)33(31,32)28-16-14-19-5-3-6-20(17-19)24(8-1-2-9-25(29)30)21-7-4-15-27-18-21/h3-8,10-13,15,17-18,28H,1-2,9,14,16H2,(H,29,30)/b24-8+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 12n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Displacement of the high affinity radiolabeled ligand [3H]- SQ-29,548 from the PGH-2/TXA-2 receptor in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50043862
PNG
((E)-4-{4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]...)
Show SMILES OC(=O)C\C=C(/c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C23H21ClN2O4S/c24-20-7-9-21(10-8-20)31(29,30)26-15-13-17-3-5-18(6-4-17)22(11-12-23(27)28)19-2-1-14-25-16-19/h1-11,14,16,26H,12-13,15H2,(H,27,28)/b22-11+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 12n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Displacement of the high affinity radiolabeled ligand [3H]- SQ-29,548 from the PGH-2/TXA-2 receptor in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50043849
PNG
((E)-6-[6-(4-Chloro-benzenesulfonylamino)-5,6,7,8-t...)
Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1ccc2CC(CCc2c1)NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27ClN2O4S/c28-23-10-13-25(14-11-23)35(33,34)30-24-12-9-19-16-21(8-7-20(19)17-24)26(5-1-2-6-27(31)32)22-4-3-15-29-18-22/h3-5,7-8,10-11,13-16,18,24,30H,1-2,6,9,12,17H2,(H,31,32)/b26-5+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 13n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Displacement of the high affinity radiolabeled ligand [3H]- SQ-29,548 from the PGH-2/TXA-2 receptor in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50043823
PNG
((E)-6-(4-{2-[(4-Chloro-benzenesulfonyl)-methyl-ami...)
Show SMILES CN(CCc1ccc(cc1)C(=C/CCCC(O)=O)\c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O4S/c1-29(34(32,33)24-14-12-23(27)13-15-24)18-16-20-8-10-21(11-9-20)25(6-2-3-7-26(30)31)22-5-4-17-28-19-22/h4-6,8-15,17,19H,2-3,7,16,18H2,1H3,(H,30,31)/b25-6+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 15n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 175 total )  |  Next  |  Last  >>
Jump to: