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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 = 'BDBM50075621'   
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))		BDBM50075621
PNG
(6-{3-[2-cyano-1-dimethylamino-(Z)-1-iminomethylami...)
Show SMILES CN(C)C(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC#N |w:25.27,12.13|
Show InChI InChI=1S/C21H23N5O2/c1-26(2)21(24-15-22)25-18-9-5-7-16(13-18)19(10-3-4-11-20(27)28)17-8-6-12-23-14-17/h5-10,12-14H,3-4,11H2,1-2H3,(H,24,25)(H,27,28)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 26n/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