BDBM50197668 CHEMBL3923643

SMILES: CC1(CCS(=O)(=O)CC1)C1CN(CCOc2ccc(F)cc2)C(=O)C1

InChI Key: InChIKey=RGEYJRHMGGUDMY-UHFFFAOYSA-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 = 50197668   

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
LDL-associated phospholipase A2 (Homo sapiens (Human))	BDBM50197668 (CHEMBL3923643) Show SMILES CC1(CCS(=O)(=O)CC1)C1CN(CCOc2ccc(F)cc2)C(=O)C1 Show InChI InChI=1S/C18H24FNO4S/c1-18(6-10-25(22,23)11-7-18)14-12-17(21)20(13-14)8-9-24-16-4-2-15(19)3-5-16/h2-5,14H,6-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrate				J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND
					More data for this Ligand-Target Pair
LDL-associated phospholipase A2 (Homo sapiens (Human))	BDBM50197668 (CHEMBL3923643) Show SMILES CC1(CCS(=O)(=O)CC1)C1CN(CCOc2ccc(F)cc2)C(=O)C1 Show InChI InChI=1S/C18H24FNO4S/c1-18(6-10-25(22,23)11-7-18)14-12-17(21)20(13-14)8-9-24-16-4-2-15(19)3-5-16/h2-5,14H,6-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Lp-PLA2 in whole human plasma pre-incubated for 15 mins before 2-thio-PAF substrate addition				J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND
					More data for this Ligand-Target Pair