BDBM50090901 2-Methyl-5-(5-phenyl-4-p-tolylamino-pyrrolo[2,3-d]pyrimidin-7-yl)-tetrahydro-furan-3,4-diol::CHEMBL318929

SMILES: C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(C)cc3)ncnc12

InChI Key: InChIKey=LVWPNNVLRVHGRO-FKLNCEEKSA-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 = 50090901   

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))	BDBM50090901 (2-Methyl-5-(5-phenyl-4-p-tolylamino-pyrrolo[2,3-d]...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(C)cc3)ncnc12 Show InChI InChI=1S/C24H24N4O3/c1-14-8-10-17(11-9-14)27-22-19-18(16-6-4-3-5-7-16)12-28(23(19)26-13-25-22)24-21(30)20(29)15(2)31-24/h3-13,15,20-21,24,29-30H,1-2H3,(H,25,26,27)/t15-,20-,21-,24-/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	1.5	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