BDBM50166241 (2R,3R,4S,5R)-2-[8-Chloro-6-(2,3-dihydro-indol-1-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL193265

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Cl)nc2c(ncnc12)N1CCc2ccccc12

InChI Key: InChIKey=NBHKGNMCGIWLCT-LSCFUAHRSA-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 = 50166241   

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))	BDBM50166241 ((2R,3R,4S,5R)-2-[8-Chloro-6-(2,3-dihydro-indol-1-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Cl)nc2c(ncnc12)N1CCc2ccccc12 Show InChI InChI=1S/C18H18ClN5O4/c19-18-22-12-15(23-6-5-9-3-1-2-4-10(9)23)20-8-21-16(12)24(18)17-14(27)13(26)11(7-25)28-17/h1-4,8,11,13-14,17,25-27H,5-7H2/t11-,13-,14-,17-/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	480	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 48: 3389-99 (2005) Article DOI: 10.1021/jm048968j BindingDB Entry DOI: 10.7270/Q2RR1XRF
					More data for this Ligand-Target Pair