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BDBM50280063 (Z)-6-((4S,5R)-2,2-Dimethyl-4-thiazol-5-yl-[1,3]dioxan-5-yl)-hex-4-enoic acid::CHEMBL17797

SMILES: CC1(C)OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1cncs1

InChI Key: InChIKey=BGFDWJXRWQZMQY-RXFDVUBGSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50280063   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50280063
PNG
((Z)-6-((4S,5R)-2,2-Dimethyl-4-thiazol-5-yl-[1,3]di...)
Show SMILES CC1(C)OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1cncs1
Show InChI InChI=1S/C15H21NO4S/c1-15(2)19-9-11(6-4-3-5-7-13(17)18)14(20-15)12-8-16-10-21-12/h3-4,8,10-11,14H,5-7,9H2,1-2H3,(H,17,18)/b4-3-/t11-,14+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 80n/an/an/an/an/an/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