BDBM50174605 4-[5-(4-Chloro-phenyl)-7-((1R,2R,3R)-3,4-dihydroxy-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino]-benzonitrile::CHEMBL198143

SMILES: O[C@@H]1CO[C@H]([C@@H]1O)n1cc(-c2ccc(Cl)cc2)c2c(Nc3ccc(cc3)C#N)ncnc12

InChI Key: InChIKey=GZFKXUDHQZUPOS-KKLQWCBXSA-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 = 50174605   

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))	BDBM50174605 (4-[5-(4-Chloro-phenyl)-7-((1R,2R,3R)-3,4-dihydroxy...) Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cc(-c2ccc(Cl)cc2)c2c(Nc3ccc(cc3)C#N)ncnc12 Show InChI InChI=1S/C23H18ClN5O3/c24-15-5-3-14(4-6-15)17-10-29(23-20(31)18(30)11-32-23)22-19(17)21(26-12-27-22)28-16-7-1-13(9-25)2-8-16/h1-8,10,12,18,20,23,30-31H,11H2,(H,26,27,28)/t18-,20-,23-/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	7	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand				J Med Chem 48: 6430-41 (2005) Article DOI: 10.1021/jm0503650 BindingDB Entry DOI: 10.7270/Q2DV1JFS
					More data for this Ligand-Target Pair