BDBM315163 (3R/S)-3-[3-({(2R/S)-2-Cyclopentyl-2-[4-(5-ethylpyridin-3-yl)phenyl]acetyl}amino)-2-methylphenyl]pentanoic acid::US10172814, Example 105

SMILES: CCC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(CC)c2)c1C

InChI Key: InChIKey=YCZXGDRTZAULOW-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 315163   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM315163 ((3R/S)-3-[3-({(2R/S)-2-Cyclopentyl-2-[4-(5-ethylpy...) Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(CC)c2)c1C Show InChI InChI=1S/C32H38N2O3/c1-4-22-17-27(20-33-19-22)24-13-15-26(16-14-24)31(25-9-6-7-10-25)32(37)34-29-12-8-11-28(21(29)3)23(5-2)18-30(35)36/h8,11-17,19-20,23,25,31H,4-7,9-10,18H2,1-3H3,(H,34,37)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.9	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
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