BDBM50197677 CHEMBL3983270

SMILES: C[C@@]1(CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1)c1ccccc1

InChI Key: InChIKey=WMVNTKWNIVSPIC-HXUWFJFHSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50197677   

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))	BDBM50197677 (CHEMBL3983270) Show SMILES C[C@@]1(CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1)c1ccccc1 |r| Show InChI InChI=1S/C20H19FN2O2/c1-20(16-5-3-2-4-6-16)12-19(24)23(14-20)9-10-25-17-7-8-18(21)15(11-17)13-22/h2-8,11H,9-10,12,14H2,1H3/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.60E+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				3D Structure (crystal)