BDBM314837 (R/S) 3-[3- ({Cyclopentyl[4-(5- methylpyridin-3-yl)- phenyl]acetyl}amino)-2- methylphenyl]propanoic acid::US10172814, Example 21

SMILES: Cc1cncc(c1)-c1ccc(cc1)C(C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C

InChI Key: InChIKey=YZJMHVHSNRSMQJ-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 314837   

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))	BDBM314837 ((R/S) 3-[3- ({Cyclopentyl[4-(5- methylpyridin-3-yl...) Show SMILES Cc1cncc(c1)-c1ccc(cc1)C(C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C Show InChI InChI=1S/C29H32N2O3/c1-19-16-25(18-30-17-19)22-10-12-24(13-11-22)28(23-6-3-4-7-23)29(34)31-26-9-5-8-21(20(26)2)14-15-27(32)33/h5,8-13,16-18,23,28H,3-4,6-7,14-15H2,1-2H3,(H,31,34)(H,32,33)	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	161	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
					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM314837 ((R/S) 3-[3- ({Cyclopentyl[4-(5- methylpyridin-3-yl...) Show SMILES Cc1cncc(c1)-c1ccc(cc1)C(C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C Show InChI InChI=1S/C29H32N2O3/c1-19-16-25(18-30-17-19)22-10-12-24(13-11-22)28(23-6-3-4-7-23)29(34)31-26-9-5-8-21(20(26)2)14-15-27(32)33/h5,8-13,16-18,23,28H,3-4,6-7,14-15H2,1-2H3,(H,31,34)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of human recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate preincubate...				Bioorg Med Chem Lett 29: 2700-2705 (2019) Article DOI: 10.1016/j.bmcl.2019.07.007
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Mus musculus)	BDBM314837 ((R/S) 3-[3- ({Cyclopentyl[4-(5- methylpyridin-3-yl...) Show SMILES Cc1cncc(c1)-c1ccc(cc1)C(C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C Show InChI InChI=1S/C29H32N2O3/c1-19-16-25(18-30-17-19)22-10-12-24(13-11-22)28(23-6-3-4-7-23)29(34)31-26-9-5-8-21(20(26)2)14-15-27(32)33/h5,8-13,16-18,23,28H,3-4,6-7,14-15H2,1-2H3,(H,31,34)(H,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	818	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of mouse recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate incubated f...				Bioorg Med Chem Lett 29: 2700-2705 (2019) Article DOI: 10.1016/j.bmcl.2019.07.007
					More data for this Ligand-Target Pair