BDBM50433661 CHEMBL2380954

SMILES: CCN(CC)CCN(C)C(C)c1nnc(Cn2c3CCCc3c(=O)nc2SCc2ccc(F)cc2)n1Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=HIUBDEQUJJHTKT-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 = 50433661   

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))	BDBM50433661 (CHEMBL2380954) Show SMILES CCN(CC)CCN(C)C(C)c1nnc(Cn2c3CCCc3c(=O)nc2SCc2ccc(F)cc2)n1Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C40H45F4N7OS/c1-5-49(6-2)23-22-48(4)27(3)37-47-46-36(51(37)24-28-10-14-30(15-11-28)31-16-18-32(19-17-31)40(42,43)44)25-50-35-9-7-8-34(35)38(52)45-39(50)53-26-29-12-20-33(41)21-13-29/h10-21,27H,5-9,22-26H2,1-4H3	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	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human Lp-PLA2 using [3H]PAF as substrate at 10 nM incubated for 5 mins prior to substrate addition measured after 10 mins b...				Bioorg Med Chem Lett 23: 2897-901 (2013) Article DOI: 10.1016/j.bmcl.2013.03.062 BindingDB Entry DOI: 10.7270/Q2KW5HFS
					More data for this Ligand-Target Pair