BDBM50350206 CHEMBL1814775

SMILES: Nc1ncnc2n(cc(-c3cc[nH]n3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=CEXHZJCZGGFELS-IDTAVKCVSA-N

Data: 2 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 2 hits for monomerid = 50350206   

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))	BDBM50350206 (CHEMBL1814775) Show SMILES Nc1ncnc2n(cc(-c3cc[nH]n3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H16N6O4/c15-12-9-6(7-1-2-18-19-7)3-20(13(9)17-5-16-12)14-11(23)10(22)8(4-21)24-14/h1-3,5,8,10-11,14,21-23H,4H2,(H,18,19)(H2,15,16,17)/t8-,10-,11-,14-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK using [3H]-adenosine by scintillation counting				J Med Chem 54: 5498-507 (2011) Article DOI: 10.1021/jm2005173 BindingDB Entry DOI: 10.7270/Q2BK1CQX
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50350206 (CHEMBL1814775) Show SMILES Nc1ncnc2n(cc(-c3cc[nH]n3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H16N6O4/c15-12-9-6(7-1-2-18-19-7)3-20(13(9)17-5-16-12)14-11(23)10(22)8(4-21)24-14/h1-3,5,8,10-11,14,21-23H,4H2,(H,18,19)(H2,15,16,17)/t8-,10-,11-,14-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method				J Med Chem 57: 8268-79 (2014) Article DOI: 10.1021/jm500497v BindingDB Entry DOI: 10.7270/Q29888MK
					More data for this Ligand-Target Pair