BDBM50090888 2-Hydroxymethyl-5-(5-phenyl-4-phenylamino-pyrrolo[2,3-d]pyrimidin-7-yl)-tetrahydro-furan-3-ol::CHEMBL330221

SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12

InChI Key: InChIKey=NZLOCSLRXZVNNI-XUVXKRRUSA-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 = 50090888   

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))	BDBM50090888 (2-Hydroxymethyl-5-(5-phenyl-4-phenylamino-pyrrolo[...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C23H22N4O3/c28-13-19-18(29)11-20(30-19)27-12-17(15-7-3-1-4-8-15)21-22(24-14-25-23(21)27)26-16-9-5-2-6-10-16/h1-10,12,14,18-20,28-29H,11,13H2,(H,24,25,26)/t18-,19+,20+/m0/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	300	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