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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 = 'BDBM50072778'   
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


(Homo sapiens (Human))		BDBM50072778
PNG
((E)-7-(4-{4-[3-(4-Methoxy-phenyl)-propylcarbamoyl]...)
Show SMILES COc1ccc(CCCNC(=O)c2coc(n2)-c2ccc(cc2)C(=C/CCCCC(O)=O)\c2cccnc2)cc1
Show InChI InChI=1S/C32H33N3O5/c1-39-27-17-11-23(12-18-27)7-5-20-34-31(38)29-22-40-32(35-29)25-15-13-24(14-16-25)28(26-8-6-19-33-21-26)9-3-2-4-10-30(36)37/h6,8-9,11-19,21-22H,2-5,7,10,20H2,1H3,(H,34,38)(H,36,37)/b28-9+
KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against thromboxane synthase

J Med Chem 41: 5362-74 (1999)


Article DOI: 10.1021/jm980173n
BindingDB Entry DOI: 10.7270/Q2V123Z8
More data for this
Ligand-Target Pair