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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 = 'BDBM50003765'   
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))
BDBM50003765
PNG
(7-(4-Chloro-benzenesulfonylamino)-6-pyridin-3-yl-h...)
Show SMILES OC(=O)CCCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1
Show InChI InChI=1S/C18H21ClN2O4S/c19-16-7-9-17(10-8-16)26(24,25)21-13-15(4-1-2-6-18(22)23)14-5-3-11-20-12-14/h3,5,7-12,15,21H,1-2,4,6,13H2,(H,22,23)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 77n/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