BDBM50542074 CHEMBL4642470

SMILES: OC(=O)[C@H]1CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2cccc(F)c2)c2ncccc32)CC1

InChI Key: InChIKey=WVIXCWOWBSFYJV-UAPYVXQJSA-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 = 50542074   

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))	BDBM50542074 (CHEMBL4642470) Show SMILES OC(=O)[C@H]1CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2cccc(F)c2)c2ncccc32)CC1 |r,wU:6.6,wD:3.2,(89.4,-32.34,;88.37,-33.48,;88.84,-34.94,;86.86,-33.15,;86.39,-31.69,;84.88,-31.36,;83.85,-32.51,;82.35,-32.2,;81.32,-33.34,;81.8,-34.81,;79.81,-33.02,;79.33,-31.55,;77.8,-31.22,;76.78,-32.38,;77.26,-33.86,;78.77,-34.18,;76.01,-34.76,;76,-36.3,;74.67,-37.06,;74.67,-38.6,;73.34,-39.37,;72,-38.59,;72,-37.05,;70.67,-36.28,;73.34,-36.29,;74.76,-33.86,;73.25,-34.17,;72.22,-33.03,;72.7,-31.56,;74.21,-31.24,;75.24,-32.39,;84.33,-33.98,;85.83,-34.3,)| Show InChI InChI=1S/C26H28FN3O3/c27-20-4-1-3-18(13-20)15-30-23-16-29(12-10-21(23)22-5-2-11-28-25(22)30)24(31)14-17-6-8-19(9-7-17)26(32)33/h1-5,11,13,17,19H,6-10,12,14-16H2,(H,32,33)/t17-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	17	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