BDBM50177998 CHEMBL381229::N-(cyclopropylmethyl)-2-(5-phenyl-7-(5-deoxy-beta-D-ribofuranosyl)-pyrrolo[2,3-d]pyrimidin-4-ylamino)ace

SMILES: C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(NCC(=O)NCC3CC3)ncnc12

InChI Key: InChIKey=RUFQNSVJZGBIQU-HYYMDVBZSA-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 = 50177998   

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))	BDBM50177998 (CHEMBL381229 | N-(cyclopropylmethyl)-2-(5-phenyl-7...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(NCC(=O)NCC3CC3)ncnc12 Show InChI InChI=1S/C23H27N5O4/c1-13-19(30)20(31)23(32-13)28-11-16(15-5-3-2-4-6-15)18-21(26-12-27-22(18)28)25-10-17(29)24-9-14-7-8-14/h2-6,11-14,19-20,23,30-31H,7-10H2,1H3,(H,24,29)(H,25,26,27)/t13-,19-,20-,23-/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	6	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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