BDBM50090892 5-Methyl-2-(5-phenyl-4-phenylamino-pyrrolo[2,3-d]pyrimidin-7-yl)-tetrahydro-furan-3-ol::CHEMBL442002

SMILES: C[C@@H]1C[C@@H](O)[C@@H](O1)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12

InChI Key: InChIKey=VVKDQEPLGJTRKZ-NFHUAXAMSA-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 = 50090892   

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))	BDBM50090892 (5-Methyl-2-(5-phenyl-4-phenylamino-pyrrolo[2,3-d]p...) Show SMILES C[C@@H]1C[C@@H](O)[C@@H](O1)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C23H22N4O2/c1-15-12-19(28)23(29-15)27-13-18(16-8-4-2-5-9-16)20-21(24-14-25-22(20)27)26-17-10-6-3-7-11-17/h2-11,13-15,19,23,28H,12H2,1H3,(H,24,25,26)/t15-,19-,23-/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	44	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