BDBM50166238 (2R,3R,4S,5R)-2-(6,8-Bis-phenylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL192504

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Nc2ccccc2)nc2c(Nc3ccccc3)ncnc12

InChI Key: InChIKey=UOQMLQAYRLLNNH-QTQZEZTPSA-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 = 50166238   

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))	BDBM50166238 ((2R,3R,4S,5R)-2-(6,8-Bis-phenylamino-purin-9-yl)-5...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Nc2ccccc2)nc2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C22H22N6O4/c29-11-15-17(30)18(31)21(32-15)28-20-16(27-22(28)26-14-9-5-2-6-10-14)19(23-12-24-20)25-13-7-3-1-4-8-13/h1-10,12,15,17-18,21,29-31H,11H2,(H,26,27)(H,23,24,25)/t15-,17-,18-,21-/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	90	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