BDBM50253142 [(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl {[(phosphonatooxy)phosphinato]methyl}phosphonate

SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)CP([O-])(=O)OP([O-])([O-])=O)O1

InChI Key: InChIKey=JTBKCZGNQPBEJY-RRKCRQDMSA-J

Data: 1 KI

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 = 50253142   

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
DNA polymerase beta (Homo sapiens (Human))	BDBM50253142 ([(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-...) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)CP([O-])(=O)OP([O-])([O-])=O)O1 |r| Show InChI InChI=1S/C11H18N5O12P3/c12-11-14-9-8(10(18)15-11)13-3-16(9)7-1-5(17)6(27-7)2-26-29(19,20)4-30(21,22)28-31(23,24)25/h3,5-7,17H,1-2,4H2,(H,19,20)(H,21,22)(H2,23,24,25)(H3,12,14,15,18)/p-4/t5-,6+,7+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Inhibition of human DNA polymerase beta				J Med Chem 51: 6460-70 (2008) Article DOI: 10.1021/jm800692a BindingDB Entry DOI: 10.7270/Q29P32JF
					More data for this Ligand-Target Pair