BDBM50134756 (2S,3S,4R,5R)-2-[4-(4-Fluoro-phenylamino)-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL344529

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

InChI Key: InChIKey=WEPJBRSBEXYEES-JEBQKTDQSA-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 = 50134756   

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))	BDBM50134756 ((2S,3S,4R,5R)-2-[4-(4-Fluoro-phenylamino)-5-phenyl...) Show SMILES OC[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(F)cc3)ncnc12 Show InChI InChI=1S/C23H21FN4O4/c24-14-6-8-15(9-7-14)27-21-18-16(13-4-2-1-3-5-13)10-28(22(18)26-12-25-21)23-20(31)19(30)17(11-29)32-23/h1-10,12,17,19-20,23,29-31H,11H2,(H,25,26,27)/t17-,19+,20+,23+/m0/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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant adenosine kinase				J Med Chem 46: 4750-60 (2003) Article DOI: 10.1021/jm030230z BindingDB Entry DOI: 10.7270/Q2FB52B9
					More data for this Ligand-Target Pair