BDBM50163463 2-Amino-4-benzo[1,3]dioxol-5-yl-6-(2-hydroxy-ethylsulfanyl)-pyridine-3,5-dicarbonitrile::2-amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2-hydroxyethylthio)pyridine-3,5-dicarbonitrile::CHEMBL176295::LUF-5853

SMILES: Nc1nc(SCCO)c(C#N)c(-c2ccc3OCOc3c2)c1C#N

InChI Key: InChIKey=KQKVGJJOJHCKQA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50163463   

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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50163463 (2-Amino-4-benzo[1,3]dioxol-5-yl-6-(2-hydroxy-ethyl...) Show SMILES Nc1nc(SCCO)c(C#N)c(-c2ccc3OCOc3c2)c1C#N Show InChI InChI=1S/C16H12N4O3S/c17-6-10-14(9-1-2-12-13(5-9)23-8-22-12)11(7-18)16(20-15(10)19)24-4-3-21/h1-2,5,21H,3-4,8H2,(H2,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 2741-52 (2008) Article DOI: 10.1016/j.bmc.2008.01.013 BindingDB Entry DOI: 10.7270/Q2K35VHW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50163463 (2-Amino-4-benzo[1,3]dioxol-5-yl-6-(2-hydroxy-ethyl...) Show SMILES Nc1nc(SCCO)c(C#N)c(-c2ccc3OCOc3c2)c1C#N Show InChI InChI=1S/C16H12N4O3S/c17-6-10-14(9-1-2-12-13(5-9)23-8-22-12)11(7-18)16(20-15(10)19)24-4-3-21/h1-2,5,21H,3-4,8H2,(H2,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by PDSP Ki Database					Assay Description Displacement of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells				J Med Chem 48: 2045-53 (2005) Article DOI: 10.1021/jm049597+ BindingDB Entry DOI: 10.7270/Q28P6188
					More data for this Ligand-Target Pair