BDBM50179369 CHEMBL3814389

SMILES: O=c1n2c(nc3ccccc23)s\c1=C/c1cccc(OCc2ccccc2)c1

InChI Key: InChIKey=CULJDEGTRSJMQA-STZFKDTASA-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 = 50179369   

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))	BDBM50179369 (CHEMBL3814389) Show SMILES O=c1n2c(nc3ccccc23)s\c1=C/c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C23H16N2O2S/c26-22-21(28-23-24-19-11-4-5-12-20(19)25(22)23)14-17-9-6-10-18(13-17)27-15-16-7-2-1-3-8-16/h1-14H,15H2/b21-14-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...				Bioorg Med Chem 24: 3157-65 (2016) BindingDB Entry DOI: 10.7270/Q2SQ928T
					More data for this Ligand-Target Pair