BDBM55874 1,3-dimethyl-8-(2-pyrrolidin-1-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one::1,3-dimethyl-8-(2-pyrrolidinoethylthio)-6-thioxo-7H-purin-2-one::1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one::MLS000737206::SMR000528466::Theophylline, 8-[(2-pyrrolidinoethyl)thio]-6-thio-::cid_3034554

SMILES: Cn1c2nc(SCCN3CCCC3)[nH]c2c(=S)n(C)c1=O

InChI Key: InChIKey=KLAIFKHPSDRWRR-UHFFFAOYSA-N

Data: 1 IC50

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 = 55874   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neutrophil cytosol factor 1 [S99G] (Human)	BDBM55874 (SMR000528466 | MLS000737206 | Theophylline, 8-[(2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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