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SMILES: Fc1ccc(F)c(-c2c(Cl)ncn2-c2ccc(Cl)cc2)c1F

InChI Key: InChIKey=FTAMQRGBRGAAAR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50501722   
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
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50501722
PNG
(CHEMBL4083158)
Show SMILES Fc1ccc(F)c(-c2c(Cl)ncn2-c2ccc(Cl)cc2)c1F |(13.15,-8.82,;12.85,-10.32,;14,-11.35,;13.69,-12.86,;12.23,-13.34,;11.92,-14.85,;11.08,-12.31,;9.62,-12.8,;9.15,-14.27,;10.06,-15.52,;7.63,-14.28,;7.13,-12.82,;8.37,-11.9,;8.36,-10.36,;9.69,-9.59,;9.68,-8.05,;8.33,-7.29,;8.32,-5.75,;7,-8.08,;7.02,-9.61,;11.39,-10.81,;10.23,-9.79,)|
Show InChI InChI=1S/C15H7Cl2F3N2/c16-8-1-3-9(4-2-8)22-7-21-15(17)14(22)12-10(18)5-6-11(19)13(12)20/h1-7H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of COX-mediated PGD2/PGE2 production in arachidonic acid-stimulated RBL1 cells preincubated for 2 hrs followed by A23187 induction for 15 ...

J Med Chem 60: 5120-5145 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00475
BindingDB Entry DOI: 10.7270/Q21G0Q81
More data for this
Ligand-Target Pair