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

InChI Key: InChIKey=RNBHPLOTCFBHAH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50501712   
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)		BDBM50501712
PNG
(CHEMBL4090072)
Show SMILES Cc1ncn(c1-c1c(F)ccc(F)c1F)-c1ccc(Cl)cc1 |(15,-17.72,;14.09,-16.48,;12.58,-16.48,;12.08,-15.02,;13.32,-14.11,;14.57,-15,;16.03,-14.52,;17.18,-15.54,;16.86,-17.05,;18.64,-15.06,;18.95,-13.55,;17.79,-12.53,;18.1,-11.02,;16.34,-13.01,;15.18,-11.99,;13.31,-12.57,;14.63,-11.79,;14.62,-10.25,;13.28,-9.49,;13.27,-7.95,;11.95,-10.28,;11.97,-11.81,)|
Show InChI InChI=1S/C16H10ClF3N2/c1-9-16(14-12(18)6-7-13(19)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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70E+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