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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thromboxane A2 receptor' and Ligand = 'BDBM50353645'   
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 A2 receptor


(MOUSE)
BDBM50353645
PNG
(CHEMBL1829810)
Show SMILES CC(C)C1C(=O)CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O
Show InChI InChI=1S/C23H26ClNO4S/c1-15(2)22-21(26)14-18(23(22)27)13-17-5-3-4-16(12-17)10-11-25-30(28,29)20-8-6-19(24)7-9-20/h3-9,12,15,18,22,25H,10-11,13-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)


Article DOI: 10.1021/jm200980u
BindingDB Entry DOI: 10.7270/Q2H995KG
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50353645
PNG
(CHEMBL1829810)
Show SMILES CC(C)C1C(=O)CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O
Show InChI InChI=1S/C23H26ClNO4S/c1-15(2)22-21(26)14-18(23(22)27)13-17-5-3-4-16(12-17)10-11-25-30(28,29)20-8-6-19(24)7-9-20/h3-9,12,15,18,22,25H,10-11,13-14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 198n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at human prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)


Article DOI: 10.1021/jm200980u
BindingDB Entry DOI: 10.7270/Q2H995KG
More data for this
Ligand-Target Pair