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BDBM50472623 CHEMBL294100

SMILES: CC(C)(C)c1cc(\C=C2\CCNS2(=O)=O)cc(c1O)C(C)(C)C

InChI Key: InChIKey=RLUKXSOYOBRCTH-LCYFTJDESA-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 = 50472623   
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
Cyclooxygenase


(RAT)		BDBM50472623
PNG
(CHEMBL294100)
Show SMILES CC(C)(C)c1cc(\C=C2\CCNS2(=O)=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H27NO3S/c1-17(2,3)14-10-12(9-13-7-8-19-23(13,21)22)11-15(16(14)20)18(4,5)6/h9-11,19-20H,7-8H2,1-6H3/b13-9-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.

J Med Chem 43: 2040-8 (2000)


Article DOI: 10.1021/jm9906015
BindingDB Entry DOI: 10.7270/Q2H134R8
More data for this
Ligand-Target Pair