BindingDB logo
myBDB logout

PubMed code 11992782

Compile data set for download or QSAR
Found 6 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-
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
Thromboxane A2 synthase inhibitory activity was measured from inhibition of thromboxane B2 production in human platelet microsomes

Bioorg Med Chem Lett 12: 1383-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MG7NT9
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+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 24n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
Thromboxane A2 synthase inhibitory activity was measured from inhibition of thromboxane B2 production in human platelet microsomes

Bioorg Med Chem Lett 12: 1383-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MG7NT9
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50113017
PNG
(CHEMBL29639 | ethyl5-[1-{3-[6-(2-chlorophenyl)-1,4...)
Show SMILES CCOC(=O)CCCC\[N+]([O-])=C(\c1cccnc1)c1cccc(CN2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)c1 |c:36|
Show InChI InChI=1S/C39H40ClN7O3S/c1-4-50-34(48)16-7-8-19-46(49)37(29-13-10-18-41-22-29)28-12-9-11-27(21-28)23-45-20-17-31-33(24-45)51-39-35(31)36(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/b46-37-
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 60n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
Thromboxane A2 synthase inhibitory activity was measured from inhibition of thromboxane B2 production in human platelet microsomes

Bioorg Med Chem Lett 12: 1383-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MG7NT9
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50113019
PNG
(3-[4-ethyloxycarbonylbutyl(N-oxo)imino(3-pyridyl)m...)
Show SMILES CCOC(=O)CCCC\[N+]([O-])=C(\c1cccnc1)c1cccc(COC(=O)N2CCc3c(C2)sc-2c3C(=NCc3nnc(C)n-23)c2ccccc2Cl)c1 |c:39|
Show InChI InChI=1S/C39H38ClN7O5S/c1-3-51-34(48)15-6-7-18-46(50)37(28-12-9-17-41-21-28)27-11-8-10-26(20-27)24-52-39(49)45-19-16-30-32(23-45)53-38-35(30)36(29-13-4-5-14-31(29)40)42-22-33-44-43-25(2)47(33)38/h4-5,8-14,17,20-21H,3,6-7,15-16,18-19,22-24H2,1-2H3/b46-37-
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 62n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
Thromboxane A2 synthase inhibitory activity was measured from inhibition of thromboxane B2 production in human platelet microsomes

Bioorg Med Chem Lett 12: 1383-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MG7NT9
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50113018
PNG
(CHEMBL283814 | ethyl5-[1-{3-[6-(2-chlorophenyl)-1-...)
Show SMILES CCOC(=O)CCCC\[N+]([O-])=C(\c1cccnc1)c1cccc(CN2CCc3c(C2)sc-2c3C(=NCc3nnc(C)n-23)c2ccccc2Cl)c1 |c:36|
Show InChI InChI=1S/C38H38ClN7O3S/c1-3-49-34(47)15-6-7-18-45(48)37(28-12-9-17-40-21-28)27-11-8-10-26(20-27)23-44-19-16-30-32(24-44)50-38-35(30)36(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/b45-37-
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 67n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
Thromboxane A2 synthase inhibitory activity was measured from inhibition of thromboxane B2 production in human platelet microsomes

Bioorg Med Chem Lett 12: 1383-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MG7NT9
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50113016
PNG
(3-[4-ethyloxycarbonylbutyl(N-oxo)imino(3-pyridyl)m...)
Show SMILES CCOC(=O)CCCC\[N+]([O-])=C(\c1cccnc1)c1cccc(COC(=O)N2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)c1 |c:39|
Show InChI InChI=1S/C40H40ClN7O5S/c1-4-52-34(49)16-7-8-19-47(51)37(29-13-10-18-42-22-29)28-12-9-11-27(21-28)24-53-40(50)46-20-17-31-33(23-46)54-39-35(31)36(30-14-5-6-15-32(30)41)43-25(2)38-45-44-26(3)48(38)39/h5-6,9-15,18,21-22,25H,4,7-8,16-17,19-20,23-24H2,1-3H3/b47-37-
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 69n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
Thromboxane A2 synthase inhibitory activity was measured from inhibition of thromboxane B2 production in human platelet microsomes

Bioorg Med Chem Lett 12: 1383-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MG7NT9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%