BDBM50166242 (2R,3R,4S,5R)-2-[6-(2,3-Dihydro-indol-1-yl)-8-phenylamino-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL364496

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Nc2ccccc2)nc2c(ncnc12)N1CCc2ccccc12

InChI Key: InChIKey=AOFQWNWLLGZQNE-ZDXOVATRSA-N

Data: 2 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 2 hits for monomerid = 50166242   

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))	BDBM50166242 ((2R,3R,4S,5R)-2-[6-(2,3-Dihydro-indol-1-yl)-8-phen...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Nc2ccccc2)nc2c(ncnc12)N1CCc2ccccc12 Show InChI InChI=1S/C24H24N6O4/c31-12-17-19(32)20(33)23(34-17)30-22-18(28-24(30)27-15-7-2-1-3-8-15)21(25-13-26-22)29-11-10-14-6-4-5-9-16(14)29/h1-9,13,17,19-20,23,31-33H,10-12H2,(H,27,28)/t17-,19-,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	19	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase assessed as reduction in conversion of adenosine to AMP				J Med Chem 59: 6860-77 (2016) Article DOI: 10.1021/acs.jmedchem.6b00689
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50166242 ((2R,3R,4S,5R)-2-[6-(2,3-Dihydro-indol-1-yl)-8-phen...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Nc2ccccc2)nc2c(ncnc12)N1CCc2ccccc12 Show InChI InChI=1S/C24H24N6O4/c31-12-17-19(32)20(33)23(34-17)30-22-18(28-24(30)27-15-7-2-1-3-8-15)21(25-13-26-22)29-11-10-14-6-4-5-9-16(14)29/h1-9,13,17,19-20,23,31-33H,10-12H2,(H,27,28)/t17-,19-,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	19	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