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SMILES: Cc1ncn(c1-c1c(F)ccc(Cl)c1F)-c1ccc(Cl)cc1

InChI Key: InChIKey=ANOJXKHCCKRTSY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50501711   
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)		BDBM50501711
PNG
(CHEMBL4090986)
Show SMILES Cc1ncn(c1-c1c(F)ccc(Cl)c1F)-c1ccc(Cl)cc1 |(23.44,-20.94,;22.53,-19.7,;21.02,-19.7,;20.52,-18.24,;21.76,-17.33,;23.01,-18.22,;24.47,-17.74,;24.78,-16.23,;23.62,-15.21,;26.23,-15.75,;27.39,-16.77,;27.08,-18.28,;28.23,-19.31,;25.62,-18.76,;25.3,-20.27,;21.75,-15.79,;23.07,-15.01,;23.06,-13.47,;21.72,-12.71,;21.71,-11.17,;20.39,-13.5,;20.41,-15.03,)|
Show InChI InChI=1S/C16H10Cl2F2N2/c1-9-16(14-13(19)7-6-12(18)15(14)20)22(8-21-9)11-4-2-10(17)3-5-11/h2-8H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.21E+4n/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