BDBM50090881 (2R,3R,4S,5R)-2-(6-Bromo-5-phenyl-4-phenylamino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methyl-tetrahydro-furan-3,4-diol::2-(6-Bromo-5-phenyl-4-phenylamino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methyl-tetrahydro-furan-3,4-diol::CHEMBL328826

SMILES: C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Br)c(-c2ccccc2)c2c(Nc3ccccc3)ncnc12

InChI Key: InChIKey=OJEMOWQMXDBASS-XZVZJOHJSA-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 = 50090881   

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))	BDBM50090881 ((2R,3R,4S,5R)-2-(6-Bromo-5-phenyl-4-phenylamino-py...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Br)c(-c2ccccc2)c2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C23H21BrN4O3/c1-13-18(29)19(30)23(31-13)28-20(24)16(14-8-4-2-5-9-14)17-21(25-12-26-22(17)28)27-15-10-6-3-7-11-15/h2-13,18-19,23,29-30H,1H3,(H,25,26,27)/t13-,18-,19-,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	1	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
Adenosine kinase (Homo sapiens (Human))	BDBM50090881 ((2R,3R,4S,5R)-2-(6-Bromo-5-phenyl-4-phenylamino-py...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Br)c(-c2ccccc2)c2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C23H21BrN4O3/c1-13-18(29)19(30)23(31-13)28-20(24)16(14-8-4-2-5-9-14)17-21(25-12-26-22(17)28)27-15-10-6-3-7-11-15/h2-13,18-19,23,29-30H,1H3,(H,25,26,27)/t13-,18-,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	1	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