BDBM50089698 2-(acetylamino)-N-[2-(6-amino-9H-purin-9-yl)ethyl]-3-methyl-3-(nitrosothio)butanamide::CHEMBL287449

SMILES: CC(=O)NC(C(=O)NCCn1cnc2c(N)ncnc12)C(C)(C)SN=O

InChI Key: InChIKey=FUIYPUFAHZLUIA-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 = 50089698   

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 transporter 1 (Trypanosoma brucei)	BDBM50089698 (2-(acetylamino)-N-[2-(6-amino-9H-purin-9-yl)ethyl]...) Show SMILES CC(=O)NC(C(=O)NCCn1cnc2c(N)ncnc12)C(C)(C)SN=O Show InChI InChI=1S/C14H20N8O3S/c1-8(23)20-10(14(2,3)26-21-25)13(24)16-4-5-22-7-19-9-11(15)17-6-18-12(9)22/h6-7,10H,4-5H2,1-3H3,(H,16,24)(H,20,23)(H2,15,17,18)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Toulouse III Curated by ChEMBL					Assay Description Compound was tested for inhibition of Adenosine transporter P2 type by using [2-3H]adenosine as radioligand in Trypanosoma equiperdum				Bioorg Med Chem Lett 10: 1347-50 (2000) BindingDB Entry DOI: 10.7270/Q2HQ40DD
					More data for this Ligand-Target Pair