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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thromboxane A2 receptor' and Ligand = 'BDBM50075641'   
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 receptor


(Homo sapiens (Human))		BDBM50075641
PNG
(6-{3-[2-cyano-1-isobutylamino-(E)-1-iminomethylami...)
Show SMILES CC(C)CNC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC#N |w:27.29,14.15|
Show InChI InChI=1S/C23H27N5O2/c1-17(2)14-26-23(27-16-24)28-20-9-5-7-18(13-20)21(10-3-4-11-22(29)30)19-8-6-12-25-15-19/h5-10,12-13,15,17H,3-4,11,14H2,1-2H3,(H,29,30)(H2,26,27,28)
PDB

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 receptor antagonism 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