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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thromboxane A2 Synthase (P450 TxA2)' and Ligand = 'BDBM50003772'   
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 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003772
PNG
(8-(4-Methoxy-benzenesulfonylamino)-7-pyridin-3-yl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCC(CCCCCC(O)=O)c1cccnc1
Show InChI InChI=1S/C20H26N2O5S/c1-27-18-9-11-19(12-10-18)28(25,26)22-15-17(16-7-5-13-21-14-16)6-3-2-4-8-20(23)24/h5,7,9-14,17,22H,2-4,6,8,15H2,1H3,(H,23,24)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 940n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human Thromboxane A2 synthase


J Med Chem 35: 4362-5 (1992)


Article DOI: 10.1021/jm00101a013
BindingDB Entry DOI: 10.7270/Q2513ZT0
More data for this
Ligand-Target Pair