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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 = 'BDBM50003777'   
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))
BDBM50003777
PNG
(8-(4-Chloro-benzenesulfonylamino)-2-(5-pyridin-3-y...)
Show SMILES OC(=O)C(CCCCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCCCc1cccnc1
Show InChI InChI=1S/C24H33ClN2O4S/c25-22-13-15-23(16-14-22)32(30,31)27-18-7-2-1-5-11-21(24(28)29)12-6-3-4-9-20-10-8-17-26-19-20/h8,10,13-17,19,21,27H,1-7,9,11-12,18H2,(H,28,29)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against thromboxane synthase A2 (TXA2)


J Med Chem 35: 4366-72 (1992)


Article DOI: 10.1021/jm00101a014
BindingDB Entry DOI: 10.7270/Q2JW8CVB
More data for this
Ligand-Target Pair