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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 = 'BDBM50408868'   
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))		BDBM50408868
PNG
(CHEMBL2112933)
Show SMILES CC(C)(C)Nc1c(Nc2cccc(c2)C(=C/CCCC(O)=O)\c2cccnc2)c(=O)c1=O
Show InChI InChI=1S/C25H27N3O4/c1-25(2,3)28-22-21(23(31)24(22)32)27-18-10-6-8-16(14-18)19(11-4-5-12-20(29)30)17-9-7-13-26-15-17/h6-11,13-15,27-28H,4-5,12H2,1-3H3,(H,29,30)/b19-11+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.

J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair