BDBM50507510 CHEMBL4517245

SMILES: Cn1ccc2c3c(N)ncnc3n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c12

InChI Key: InChIKey=VCHGEPILMVWTAK-AKAIJSEGSA-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 = 50507510   

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))	BDBM50507510 (CHEMBL4517245) Show SMILES Cn1ccc2c3c(N)ncnc3n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c12 |r| Show InChI InChI=1S/C14H17N5O4/c1-18-3-2-6-8-11(15)16-5-17-12(8)19(13(6)18)14-10(22)9(21)7(4-20)23-14/h2-3,5,7,9-10,14,20-22H,4H2,1H3,(H2,15,16,17)/t7-,9-,10-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human ADK using [3H]-adenosine as substrate after 20 mins by TLC scanner-based analysis relative to control				J Med Chem 61: 9347-9359 (2018) Article DOI: 10.1021/acs.jmedchem.8b01258
					More data for this Ligand-Target Pair