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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 = 'BDBM50280259'   
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))
BDBM50280259
PNG
(6-{4-[3-(4-Chloro-benzenesulfonylamino)-propyl]-py...)
Show SMILES OC(=O)CCCCCc1cnccc1CCCNS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H25ClN2O4S/c21-18-8-10-19(11-9-18)28(26,27)23-13-4-6-16-12-14-22-15-17(16)5-2-1-3-7-20(24)25/h8-12,14-15,23H,1-7,13H2,(H,24,25)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against thromboxane synthase enzyme


Bioorg Med Chem Lett 2: 1619-1622 (1992)


Article DOI: 10.1016/S0960-894X(00)80442-4
BindingDB Entry DOI: 10.7270/Q2BC3ZF2
More data for this
Ligand-Target Pair