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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 = 'BDBM50008790'   
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))
BDBM50008790
PNG
(5-[Pyridin-4-yl-(3-trifluoromethyl-phenyl)-methyle...)
Show SMILES OC(=O)CCCCO\N=C(/c1ccncc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)15-5-3-4-14(12-15)17(13-7-9-22-10-8-13)23-26-11-2-1-6-16(24)25/h3-5,7-10,12H,1-2,6,11H2,(H,24,25)/b23-17+
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibition of Thromboxane synthase using [14C]-arachidonic acid as radioligand


J Med Chem 34: 1790-7 (1991)


Article DOI: 10.1021/jm00110a006
BindingDB Entry DOI: 10.7270/Q2BR8R47
More data for this
Ligand-Target Pair