Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Thromboxane-A synthase' and Ligand = 'BDBM50023002'   

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))	BDBM50023002 (4-[2-Imidazol-1-yl-1-(4-methoxy-benzyloxymethyl)-e...) Show SMILES CCOC(=O)c1ccc(COC(COCc2ccc(OC)cc2)Cn2ccnc2)cc1 Show InChI InChI=1S/C24H28N2O5/c1-3-30-24(27)21-8-4-20(5-9-21)16-31-23(14-26-13-12-25-18-26)17-29-15-19-6-10-22(28-2)11-7-19/h4-13,18,23H,3,14-17H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibitory activity against intact human platelet TXA2 formation				J Med Chem 30: 1588-95 (1987) BindingDB Entry DOI: 10.7270/Q20R9NDV
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50023002 (4-[2-Imidazol-1-yl-1-(4-methoxy-benzyloxymethyl)-e...) Show SMILES CCOC(=O)c1ccc(COC(COCc2ccc(OC)cc2)Cn2ccnc2)cc1 Show InChI InChI=1S/C24H28N2O5/c1-3-30-24(27)21-8-4-20(5-9-21)16-31-23(14-26-13-12-25-18-26)17-29-15-19-6-10-22(28-2)11-7-19/h4-13,18,23H,3,14-17H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Inhibition of Thromboxane B2 formation in collagen-stimulated human platelets in platelet rich plasma.				J Med Chem 30: 1812-8 (1987) BindingDB Entry DOI: 10.7270/Q2ZP454K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50023002 (4-[2-Imidazol-1-yl-1-(4-methoxy-benzyloxymethyl)-e...) Show SMILES CCOC(=O)c1ccc(COC(COCc2ccc(OC)cc2)Cn2ccnc2)cc1 Show InChI InChI=1S/C24H28N2O5/c1-3-30-24(27)21-8-4-20(5-9-21)16-31-23(14-26-13-12-25-18-26)17-29-15-19-6-10-22(28-2)11-7-19/h4-13,18,23H,3,14-17H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human platelet microsomal TXA2 synthase				J Med Chem 30: 1588-95 (1987) BindingDB Entry DOI: 10.7270/Q20R9NDV
					More data for this Ligand-Target Pair