BDBM50542071 CHEMBL4643425

SMILES: OC(=O)c1cccc(CC(=O)N2CCc3c(C2)n(Cc2cccc(F)c2)c2ncccc32)c1

InChI Key: InChIKey=LSYSBGRFOMFXOM-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 = 50542071   

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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50542071 (CHEMBL4643425) Show SMILES OC(=O)c1cccc(CC(=O)N2CCc3c(C2)n(Cc2cccc(F)c2)c2ncccc32)c1 Show InChI InChI=1S/C26H22FN3O3/c27-20-7-2-5-18(13-20)15-30-23-16-29(11-9-21(23)22-8-3-10-28-25(22)30)24(31)14-17-4-1-6-19(12-17)26(32)33/h1-8,10,12-13H,9,11,14-16H2,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human ATX assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs				ACS Med Chem Lett 11: 1335-1341 (2020)
					More data for this Ligand-Target Pair