BDBM50160555 [(2R,3S,5R)-2-ethynyl-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl tetrahydrogen triphosphate

SMILES: Cc1cn([C@H]2C[C@H](O)[C@@](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)(O2)C#C)c(=O)[nH]c1=O

InChI Key: InChIKey=DKGZXVAHKCJMQI-YGOYTEALSA-J

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 = 50160555   

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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50160555 ([(2R,3S,5R)-2-ethynyl-3-hydroxy-5-(5-methyl-2,4-di...) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)(O2)C#C)c(=O)[nH]c1=O Show InChI InChI=1S/C12H17N2O14P3/c1-3-12(6-25-30(21,22)28-31(23,24)27-29(18,19)20)8(15)4-9(26-12)14-5-7(2)10(16)13-11(14)17/h1,5,8-9,15H,4,6H2,2H3,(H,21,22)(H,23,24)(H,13,16,17)(H2,18,19,20)/p-4/t8-,9+,12+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Konstanz Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus type 1 reverse transcriptase				Bioorg Med Chem Lett 15: 869-71 (2005) Article DOI: 10.1016/j.bmcl.2004.12.072 BindingDB Entry DOI: 10.7270/Q2F190GP
					More data for this Ligand-Target Pair