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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 = 'BDBM50318494'   
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))
BDBM50318494
PNG
(3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3
KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.00E+6n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthase after oral administration of 0.03 mmol/kg


J Med Chem 33: 646-52 (1990)


BindingDB Entry DOI: 10.7270/Q25X29HP
More data for this
Ligand-Target Pair