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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 = 'BDBM50008803'   
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))
BDBM50008803
PNG
(7-(3-Pyridin-3-yl-7-oxa-bicyclo[2.2.1]hept-2-yl)-h...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1C2CCC(O2)C1c1cccnc1
Show InChI InChI=1S/C18H23NO3/c20-17(21)8-4-2-1-3-7-14-15-9-10-16(22-15)18(14)13-6-5-11-19-12-13/h1,3,5-6,11-12,14-16,18H,2,4,7-10H2,(H,20,21)/b3-1-/t14-,15?,16?,18?/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>500n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase using [14C]-arachidonic acid


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