BDBM50356463 CHEMBL1911841

SMILES: C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(nc12)-n1ccnn1

InChI Key: InChIKey=RKCTUDMHEOWPDS-VHQAPHLWSA-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 = 50356463   

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 deaminase (Homo sapiens (Human))	BDBM50356463 (CHEMBL1911841) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(nc12)-n1ccnn1 |r| Show InChI InChI=1S/C13H16N8O4/c1-13(24)8(23)6(4-22)25-11(13)20-5-15-7-9(14)17-12(18-10(7)20)21-3-2-16-19-21/h2-3,5-6,8,11,22-24H,4H2,1H3,(H2,14,17,18)/t6-,8-,11-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University School of Medicine Curated by ChEMBL					Assay Description Inhibition of adenosine deaminase assessed as conversion of adenosine to inosine				Bioorg Med Chem Lett 21: 6788-92 (2011) Article DOI: 10.1016/j.bmcl.2011.09.034 BindingDB Entry DOI: 10.7270/Q29W0FWD
					More data for this Ligand-Target Pair