Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thromboxane-A synthase' and Ligand = 'BDBM50075623'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50075623 (6-{3-[1-benzylamino-2-cyano-(E)-1-iminomethylamino...) Show SMILES OC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NCc2ccccc2)=NC#N)c1 |w:29.31,6.5| Show InChI InChI=1S/C26H25N5O2/c27-19-30-26(29-17-20-8-2-1-3-9-20)31-23-12-6-10-21(16-23)24(13-4-5-14-25(32)33)22-11-7-15-28-18-22/h1-3,6-13,15-16,18H,4-5,14,17H2,(H,32,33)(H2,29,30,31)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/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
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