BDBM50166230 (2R,3R,4S,5R)-2-[6-(2,3-Dihydro-indol-1-yl)-8-furan-2-yl-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL363354

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(nc2c(ncnc12)N1CCc2ccccc12)-c1ccco1

InChI Key: InChIKey=WXUMKHWIYLNLDA-UVLLPENVSA-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 = 50166230   

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))	BDBM50166230 ((2R,3R,4S,5R)-2-[6-(2,3-Dihydro-indol-1-yl)-8-fura...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(nc2c(ncnc12)N1CCc2ccccc12)-c1ccco1 Show InChI InChI=1S/C22H21N5O5/c28-10-15-17(29)18(30)22(32-15)27-19(14-6-3-9-31-14)25-16-20(23-11-24-21(16)27)26-8-7-12-4-1-2-5-13(12)26/h1-6,9,11,15,17-18,22,28-30H,7-8,10H2/t15-,17-,18-,22-/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	2.90E+3	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