BDBM50036384 (Z)-6-(4-Pyridin-3-yl-2-thiophen-2-yl-[1,3]dioxan-5-yl)-hex-4-enoic acid::CHEMBL349160

SMILES: OC(=O)CC\C=C/CC1COC(OC1c1cccnc1)c1cccs1

InChI Key: InChIKey=TZGFTCJPPBRFFT-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 = 50036384   

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))	BDBM50036384 ((Z)-6-(4-Pyridin-3-yl-2-thiophen-2-yl-[1,3]dioxan-...) Show SMILES OC(=O)CC\C=C/CC1COC(OC1c1cccnc1)c1cccs1 Show InChI InChI=1S/C19H21NO4S/c21-17(22)9-3-1-2-6-15-13-23-19(16-8-5-11-25-16)24-18(15)14-7-4-10-20-12-14/h1-2,4-5,7-8,10-12,15,18-19H,3,6,9,13H2,(H,21,22)/b2-1-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	71	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