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BDBM50026759 CHEMBL3354613

SMILES: CC1=C(O)CC(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1=O

InChI Key: InChIKey=QIWVMARQEAOIQU-UHFFFAOYNA-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 = 50026759   
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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50026759
PNG
(CHEMBL3354613)
Show SMILES CC1=C(O)CC(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1=O |c:1|
Show InChI InChI=1/C23H24ClNO4S/c1-14-22(26)13-17(23(14)27)11-15-3-2-4-16-12-19(7-10-21(15)16)25-30(28,29)20-8-5-18(24)6-9-20/h2-6,8-9,17,19,25-26H,7,10-13H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair