BDBM50542065 CHEMBL4634304

SMILES: OC(=O)CCC(=O)N1CCc2c(C1)n(Cc1ccccc1)c1ncccc21

InChI Key: InChIKey=DPIAUOVJFHOQRJ-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 = 50542065   

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))	BDBM50542065 (CHEMBL4634304) Show SMILES OC(=O)CCC(=O)N1CCc2c(C1)n(Cc1ccccc1)c1ncccc21 Show InChI InChI=1S/C21H21N3O3/c25-19(8-9-20(26)27)23-12-10-16-17-7-4-11-22-21(17)24(18(16)14-23)13-15-5-2-1-3-6-15/h1-7,11H,8-10,12-14H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	5.40E+3	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