BDBM50458123 CHEMBL4215710

SMILES: ONC(=O)c1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)cc1

InChI Key: InChIKey=NWTRMAHYCPASNG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50458123   

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))	BDBM50458123 (CHEMBL4215710) Show SMILES ONC(=O)c1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)cc1 Show InChI InChI=1S/C21H21Cl2N3O5/c22-16-9-13(10-17(23)11-16)12-31-21(29)26-7-5-15(6-8-26)19(27)24-18-3-1-14(2-4-18)20(28)25-30/h1-4,9-11,15,30H,5-8,12H2,(H,24,27)(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Eur J Med Chem 148: 397-409 (2018) Article DOI: 10.1016/j.ejmech.2018.02.049 BindingDB Entry DOI: 10.7270/Q2VH5RGT
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50458123 (CHEMBL4215710) Show SMILES ONC(=O)c1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)cc1 Show InChI InChI=1S/C21H21Cl2N3O5/c22-16-9-13(10-17(23)11-16)12-31-21(29)26-7-5-15(6-8-26)19(27)24-18-3-1-14(2-4-18)20(28)25-30/h1-4,9-11,15,30H,5-8,12H2,(H,24,27)(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	496	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibition of human ENPP2 using bis-pNPP as substrate measured every 10 secs for 10 mins by spectrophotometric assay				Eur J Med Chem 148: 397-409 (2018) Article DOI: 10.1016/j.ejmech.2018.02.049 BindingDB Entry DOI: 10.7270/Q2VH5RGT
					More data for this Ligand-Target Pair