BDBM50179357 CHEMBL1783609

SMILES: COc1cc2ncnc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC

InChI Key: InChIKey=BFPJKUMKCZVVRO-UHFFFAOYSA-N

Data: 1 KI

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 = 50179357   

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 1 (Homo sapiens (Human))	BDBM50179357 (CHEMBL1783609) Show SMILES COc1cc2ncnc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Show InChI InChI=1S/C17H25N5O4S/c1-25-15-9-13-14(10-16(15)26-2)19-11-20-17(13)22-7-4-12(5-8-22)3-6-21-27(18,23)24/h9-12,21H,3-8H2,1-2H3,(H2,18,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Non-competitive inhibition of human NPP1 expressed in African green monkey COS7 cells using p-Nph-5'-TMP as substrate after 60 mins by Dixon plot ana...				Bioorg Med Chem 24: 3157-65 (2016) BindingDB Entry DOI: 10.7270/Q2SQ928T
					More data for this Ligand-Target Pair