BDBM50120449 2-(9-Phenyl-6-propylsulfanyl-9H-purin-2-ylsulfanyl)-butyramide::CHEMBL144743

SMILES: CCCSc1nc(SC(CC)C(N)=O)nc2n(cnc12)-c1ccccc1

InChI Key: InChIKey=FOWCCUOZXSRYLU-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 = 50120449   

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 A1 receptor (BOVINE)	BDBM50120449 (2-(9-Phenyl-6-propylsulfanyl-9H-purin-2-ylsulfanyl...) Show SMILES CCCSc1nc(SC(CC)C(N)=O)nc2n(cnc12)-c1ccccc1 Show InChI InChI=1S/C18H21N5OS2/c1-3-10-25-17-14-16(21-18(22-17)26-13(4-2)15(19)24)23(11-20-14)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3,(H2,19,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	29.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Binding affinity at bovine Adenosine A1 receptor.				J Med Chem 45: 4875-87 (2002) BindingDB Entry DOI: 10.7270/Q2N87BHS
					More data for this Ligand-Target Pair