BDBM50090896 2-(4-Benzylamino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methyl-tetrahydro-furan-3,4-diol::CHEMBL317583

SMILES: C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(NCc3ccccc3)ncnc12

InChI Key: InChIKey=GOCPJDFITTZNCO-YVLZZHOMSA-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 = 50090896   

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))	BDBM50090896 (2-(4-Benzylamino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(NCc3ccccc3)ncnc12 Show InChI InChI=1S/C18H19IN4O3/c1-10-14(24)15(25)18(26-10)23-8-12(19)13-16(21-9-22-17(13)23)20-7-11-5-3-2-4-6-11/h2-6,8-10,14-15,18,24-25H,7H2,1H3,(H,20,21,22)/t10-,14-,15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase				J Med Chem 43: 2894-905 (2000) BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
					More data for this Ligand-Target Pair