BDBM50090880 4-[7-(3,4-Dihydroxy-5-methyl-tetrahydro-furan-2-yl)-5-(4-methoxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino]-benzonitrile::CHEMBL317603

SMILES: COc1ccc(cc1)-c1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c2ncnc(Nc3ccc(cc3)C#N)c12

InChI Key: InChIKey=IMZJOXYFDUDWHX-ALPMVPHJSA-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 = 50090880   

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))	BDBM50090880 (4-[7-(3,4-Dihydroxy-5-methyl-tetrahydro-furan-2-yl...) Show SMILES COc1ccc(cc1)-c1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c2ncnc(Nc3ccc(cc3)C#N)c12 Show InChI InChI=1S/C25H23N5O4/c1-14-21(31)22(32)25(34-14)30-12-19(16-5-9-18(33-2)10-6-16)20-23(27-13-28-24(20)30)29-17-7-3-15(11-26)4-8-17/h3-10,12-14,21-22,25,31-32H,1-2H3,(H,27,28,29)/t14-,21-,22-,25-/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	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