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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 = 'BDBM50075643'   
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))		BDBM50075643
PNG
((E)-6-[3-(1-tert-Butylamino-2,2-dicyano-vinylamino...)
Show SMILES CC(C)(C)N=C(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)C(C#N)C#N |w:4.3,14.15|
Show InChI InChI=1S/C25H27N5O2/c1-25(2,3)30-24(20(15-26)16-27)29-21-10-6-8-18(14-21)22(11-4-5-12-23(31)32)19-9-7-13-28-17-19/h6-11,13-14,17,20H,4-5,12H2,1-3H3,(H,29,30)(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/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