BDBM50166244 (2R,3R,4S,5R)-2-[6-(2,3-Dihydro-indol-1-yl)-8-methylsulfanyl-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL192903

SMILES: CSc1nc2c(ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N1CCc2ccccc12

InChI Key: InChIKey=BFPPANACQDMKFZ-SCFUHWHPSA-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 = 50166244   

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 kinase (Homo sapiens (Human))	BDBM50166244 ((2R,3R,4S,5R)-2-[6-(2,3-Dihydro-indol-1-yl)-8-meth...) Show SMILES CSc1nc2c(ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N1CCc2ccccc12 Show InChI InChI=1S/C19H21N5O4S/c1-29-19-22-13-16(23-7-6-10-4-2-3-5-11(10)23)20-9-21-17(13)24(19)18-15(27)14(26)12(8-25)28-18/h2-5,9,12,14-15,18,25-27H,6-8H2,1H3/t12-,14-,15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Human Recombinant Adenosine Kinase				J Med Chem 48: 3389-99 (2005) Article DOI: 10.1021/jm048968j BindingDB Entry DOI: 10.7270/Q2RR1XRF
					More data for this Ligand-Target Pair