BDBM50197656 CHEMBL3959796

SMILES: CC(=O)N1CCC(C)(CC1)C1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1

InChI Key: InChIKey=KADQCTLLZRCSAR-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 = 50197656   

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))	BDBM50197656 (CHEMBL3959796) Show SMILES CC(=O)N1CCC(C)(CC1)C1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 Show InChI InChI=1S/C21H26FN3O3/c1-15(26)24-7-5-21(2,6-8-24)17-12-20(27)25(14-17)9-10-28-18-3-4-19(22)16(11-18)13-23/h3-4,11,17H,5-10,12,14H2,1-2H3	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	660	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
LDL-associated phospholipase A2 (Homo sapiens (Human))	BDBM50197656 (CHEMBL3959796) Show SMILES CC(=O)N1CCC(C)(CC1)C1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 Show InChI InChI=1S/C21H26FN3O3/c1-15(26)24-7-5-21(2,6-8-24)17-12-20(27)25(14-17)9-10-28-18-3-4-19(22)16(11-18)13-23/h3-4,11,17H,5-10,12,14H2,1-2H3	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	250	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