BDBM50142260 CHEMBL3760032

SMILES: CC[C@H](C)C(=O)NCc1ccc(C(F)F)c(c1)C(=O)Nc1ncc[nH]1

InChI Key: InChIKey=UJVBPOROGSKTNO-JTQLQIEISA-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 = 50142260   

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))	BDBM50142260 (CHEMBL3760032) Show SMILES CC[C@H](C)C(=O)NCc1ccc(C(F)F)c(c1)C(=O)Nc1ncc[nH]1 |r| Show InChI InChI=1S/C17H20F2N4O2/c1-3-10(2)15(24)22-9-11-4-5-12(14(18)19)13(8-11)16(25)23-17-20-6-7-21-17/h4-8,10,14H,3,9H2,1-2H3,(H,22,24)(H2,20,21,23,25)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES1 in rhIL-1beta-stimulated human A549 cells assessed as PGE2 level treated for 18 hrs after 30 mins pre-incubation with rhIL-1beta...				J Med Chem 59: 194-205 (2016) BindingDB Entry DOI: 10.7270/Q2474CQR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50142260 (CHEMBL3760032) Show SMILES CC[C@H](C)C(=O)NCc1ccc(C(F)F)c(c1)C(=O)Nc1ncc[nH]1 |r| Show InChI InChI=1S/C17H20F2N4O2/c1-3-10(2)15(24)22-9-11-4-5-12(14(18)19)13(8-11)16(25)23-17-20-6-7-21-17/h4-8,10,14H,3,9H2,1-2H3,(H,22,24)(H2,20,21,23,25)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 expressed in 293E cells by LC/MS/MS analysis				J Med Chem 59: 194-205 (2016) BindingDB Entry DOI: 10.7270/Q2474CQR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50142260 (CHEMBL3760032) Show SMILES CC[C@H](C)C(=O)NCc1ccc(C(F)F)c(c1)C(=O)Nc1ncc[nH]1 |r| Show InChI InChI=1S/C17H20F2N4O2/c1-3-10(2)15(24)22-9-11-4-5-12(14(18)19)13(8-11)16(25)23-17-20-6-7-21-17/h4-8,10,14H,3,9H2,1-2H3,(H,22,24)(H2,20,21,23,25)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES1 in LPS-induced human whole blood assessed as suppression of PGE2 response after 20 to 24 hrs by LC-MS/MS analysis				J Med Chem 59: 194-205 (2016) BindingDB Entry DOI: 10.7270/Q2474CQR
					More data for this Ligand-Target Pair