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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thromboxane-A synthase' and Ligand = 'BDBM50045954'   
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-A synthase


(Rattus norvegicus)		BDBM50045954
PNG
(4-(3-Imidazol-1-yl-phenyl)-2-methoxymethyl-6-methy...)
Show SMILES CCOC(=O)C1=C(COC)N=C(C)C(C1c1cccc(c1)-n1ccnc1)C(=O)OC |c:5,t:10|
Show InChI InChI=1S/C22H25N3O5/c1-5-30-22(27)20-17(12-28-3)24-14(2)18(21(26)29-4)19(20)15-7-6-8-16(11-15)25-10-9-23-13-25/h6-11,13,18-19H,5,12H2,1-4H3
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 400n/an/an/an/an/an/a



Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane B2 production in rat whole blood.

J Med Chem 36: 2964-72 (1993)


BindingDB Entry DOI: 10.7270/Q22R3S9H
More data for this
Ligand-Target Pair