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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 = 'BDBM50008796'   
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))
BDBM50008796
PNG
(8-(3-Pyridin-3-yl-bicyclo[2.2.1]hept-2-yl)-oct-6-e...)
Show SMILES OC(=O)CCCC\C=C/C[C@@H]1C2CCC(C2)C1c1cccnc1
Show InChI InChI=1S/C20H27NO2/c22-19(23)9-5-3-1-2-4-8-18-15-10-11-16(13-15)20(18)17-7-6-12-21-14-17/h2,4,6-7,12,14-16,18,20H,1,3,5,8-11,13H2,(H,22,23)/b4-2-/t15?,16?,18-,20?/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 165n/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