BDBM50036375 (Z)-6-(2,4-Di-pyridin-3-yl-[1,3]dioxan-5-yl)-hex-4-enoic acid::CHEMBL422541

SMILES: OC(=O)CC\C=C/CC1COC(OC1c1cccnc1)c1cccnc1

InChI Key: InChIKey=PWOHCYHMAOOXIW-UPHRSURJSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50036375   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50036375 ((Z)-6-(2,4-Di-pyridin-3-yl-[1,3]dioxan-5-yl)-hex-4...) Show SMILES OC(=O)CC\C=C/CC1COC(OC1c1cccnc1)c1cccnc1 Show InChI InChI=1S/C20H22N2O4/c23-18(24)9-3-1-2-6-17-14-25-20(16-8-5-11-22-13-16)26-19(17)15-7-4-10-21-12-15/h1-2,4-5,7-8,10-13,17,19-20H,3,6,9,14H2,(H,23,24)/b2-1-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair