BDBM50539780 CHEMBL4643829

SMILES: Cc1cc(C)c(o1)C(=O)Nc1nc2ccc(cc2s1)-c1cccc(CO)c1

InChI Key: InChIKey=KNKNPODTIWTTLU-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50539780   

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))	BDBM50539780 (CHEMBL4643829) Show SMILES Cc1cc(C)c(o1)C(=O)Nc1nc2ccc(cc2s1)-c1cccc(CO)c1 Show InChI InChI=1S/C21H18N2O3S/c1-12-8-13(2)26-19(12)20(25)23-21-22-17-7-6-16(10-18(17)27-21)15-5-3-4-14(9-15)11-24/h3-10,24H,11H2,1-2H3,(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta induced PGE2 release using PGH2 as substrate preincubated for 15 mins foll...				ACS Med Chem Lett 11: 783-789 (2020)
					More data for this Ligand-Target Pair