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SMILES: Cc1c(-c2cn(Cc3ccccc3)c(=O)c3CCCCc23)c2cc(F)ccc2n1CC(O)=O

InChI Key: InChIKey=JHKMILBDPJFFPJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006790   
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 D2 receptor 2


(Homo sapiens (Human))		BDBM50006790
PNG
(CHEMBL3236937)
Show SMILES Cc1c(-c2cn(Cc3ccccc3)c(=O)c3CCCCc23)c2cc(F)ccc2n1CC(O)=O |(10.49,-20.94,;9.02,-21.42,;7.78,-20.51,;7.78,-18.97,;9.12,-18.2,;9.12,-16.66,;10.46,-15.89,;11.79,-16.66,;11.79,-18.2,;13.12,-18.98,;14.46,-18.21,;14.46,-16.65,;13.12,-15.89,;7.78,-15.89,;7.78,-14.34,;6.44,-16.67,;5.12,-15.9,;3.79,-16.67,;3.79,-18.21,;5.12,-18.97,;6.44,-18.2,;6.53,-21.42,;5.03,-21.1,;4,-22.24,;2.49,-21.92,;4.48,-23.71,;5.98,-24.02,;7,-22.88,;8.54,-22.88,;9.45,-24.13,;10.98,-23.97,;11.61,-22.56,;11.89,-25.22,)|
Show InChI InChI=1S/C27H25FN2O3/c1-17-26(22-13-19(28)11-12-24(22)30(17)16-25(31)32)23-15-29(14-18-7-3-2-4-8-18)27(33)21-10-6-5-9-20(21)23/h2-4,7-8,11-13,15H,5-6,9-10,14,16H2,1H3,(H,31,32)
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n/an/a 192n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay

J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair