BDBM50197652 CHEMBL3943407

SMILES: CC(C)[C@]1(C)CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1

InChI Key: InChIKey=RDZCOUPVSMBOAC-KRWDZBQOSA-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 = 50197652   

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))	BDBM50197652 (CHEMBL3943407) Show SMILES CC(C)[C@]1(C)CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 |r| Show InChI InChI=1S/C17H21FN2O2/c1-12(2)17(3)9-16(21)20(11-17)6-7-22-14-4-5-15(18)13(8-14)10-19/h4-5,8,12H,6-7,9,11H2,1-3H3/t17-/m0/s1	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	5.40E+3	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 incubated for 20 mins by Thio-PAF assay				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))	BDBM50197652 (CHEMBL3943407) Show SMILES CC(C)[C@]1(C)CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 |r| Show InChI InChI=1S/C17H21FN2O2/c1-12(2)17(3)9-16(21)20(11-17)6-7-22-14-4-5-15(18)13(8-14)10-19/h4-5,8,12H,6-7,9,11H2,1-3H3/t17-/m0/s1	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	1.30E+4	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