BDBM50178007 2-(5-phenyl-7-(beta-D-erythrofuranosyl)-pyrrolo[2,3-d]pyrimidin-4-ylamino)-N-phenylacetamide::CHEMBL200169

SMILES: O[C@@H]1CO[C@H]([C@@H]1O)n1cc(-c2ccccc2)c2c(NCC(=O)Nc3ccccc3)ncnc12

InChI Key: InChIKey=ZALDYAINSPGVOR-MEKIYTOJSA-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 = 50178007   

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))	BDBM50178007 (2-(5-phenyl-7-(beta-D-erythrofuranosyl)-pyrrolo[2,...) Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cc(-c2ccccc2)c2c(NCC(=O)Nc3ccccc3)ncnc12 Show InChI InChI=1S/C24H23N5O4/c30-18-13-33-24(21(18)32)29-12-17(15-7-3-1-4-8-15)20-22(26-14-27-23(20)29)25-11-19(31)28-16-9-5-2-6-10-16/h1-10,12,14,18,21,24,30,32H,11,13H2,(H,28,31)(H,25,26,27)/t18-,21-,24-/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	0.600	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
					More data for this Ligand-Target Pair