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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 = 'BDBM50075620'   
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))		BDBM50075620
PNG
(6-{3-[2-cyano-1-(3-pyridylmethylamino)-(E)-1-imino...)
Show SMILES OC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NCc2cccnc2)=NC#N)c1 |w:29.31,6.5|
Show InChI InChI=1S/C25H24N6O2/c26-18-30-25(29-16-19-6-4-12-27-15-19)31-22-9-3-7-20(14-22)23(10-1-2-11-24(32)33)21-8-5-13-28-17-21/h3-10,12-15,17H,1-2,11,16H2,(H,32,33)(H2,29,30,31)
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 130n/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