BDBM50233276 CHEMBL4078000

SMILES: OC(=O)c1ccc(Cl)cc1OC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=KWGKFNZWGVXPEO-JTSKRJEESA-N

Data: 2 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 2 hits for monomerid = 50233276   

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 (Homo sapiens (Human))	BDBM50233276 (CHEMBL4078000) Show SMILES OC(=O)c1ccc(Cl)cc1OC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C26H28ClF3N2O4/c27-19-6-9-21(25(34)35)23(14-19)36-15-17-2-1-3-22(17)31-24(33)16-10-12-32(13-11-16)20-7-4-18(5-8-20)26(28,29)30/h4-9,14,16-17,22H,1-3,10-13,15H2,(H,31,33)(H,34,35)/t17-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS addition meas...				Bioorg Med Chem Lett 27: 1478-1483 (2017) BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233276 (CHEMBL4078000) Show SMILES OC(=O)c1ccc(Cl)cc1OC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C26H28ClF3N2O4/c27-19-6-9-21(25(34)35)23(14-19)36-15-17-2-1-3-22(17)31-24(33)16-10-12-32(13-11-16)20-7-4-18(5-8-20)26(28,29)30/h4-9,14,16-17,22H,1-3,10-13,15H2,(H,31,33)(H,34,35)/t17-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES1 expressed in HEK293 microsomes assessed as reduction in PGE2 production using PGH2 as substrate after 2.5 mins by LC-MS an...				Bioorg Med Chem Lett 27: 1478-1483 (2017) BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair