BDBM50178022 2-(5-phenyl-7-(5-deoxy-beta-D-ribofuranosyl)-pyrrolo[2,3-d]pyrimidin-4-ylamino)-N-propylacetamide::CHEMBL200219

SMILES: CCCNC(=O)CNc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O

InChI Key: InChIKey=GUYGLLFEEVNTHC-ZYFHONAXSA-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 = 50178022   

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))	BDBM50178022 (2-(5-phenyl-7-(5-deoxy-beta-D-ribofuranosyl)-pyrro...) Show SMILES CCCNC(=O)CNc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Show InChI InChI=1S/C22H27N5O4/c1-3-9-23-16(28)10-24-20-17-15(14-7-5-4-6-8-14)11-27(21(17)26-12-25-20)22-19(30)18(29)13(2)31-22/h4-8,11-13,18-19,22,29-30H,3,9-10H2,1-2H3,(H,23,28)(H,24,25,26)/t13-,18-,19-,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	7	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human adenosine kinase				J Med Chem 48: 7808-20 (2005) Article DOI: 10.1021/jm050394a BindingDB Entry DOI: 10.7270/Q22V2FPZ
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