BDBM50280071 (Z)-6-((4S,5R)-2,2-Dimethyl-4-thiophen-2-yl-[1,3]dioxan-5-yl)-hex-4-enoic acid::CHEMBL17957

SMILES: CC1(C)OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1cccs1

InChI Key: InChIKey=IPRRYNRVTYZLSE-OVJPTDFGSA-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 = 50280071   

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))	BDBM50280071 ((Z)-6-((4S,5R)-2,2-Dimethyl-4-thiophen-2-yl-[1,3]d...) Show SMILES CC1(C)OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1cccs1 Show InChI InChI=1S/C16H22O4S/c1-16(2)19-11-12(7-4-3-5-9-14(17)18)15(20-16)13-8-6-10-21-13/h3-4,6,8,10,12,15H,5,7,9,11H2,1-2H3,(H,17,18)/b4-3-/t12-,15+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Thromboxane A2 synthase				Bioorg Med Chem Lett 2: 1181-1186 (1992) Article DOI: 10.1016/S0960-894X(00)80210-3 BindingDB Entry DOI: 10.7270/Q2SJ1KHD
					More data for this Ligand-Target Pair