BDBM50127517 O-[5-(1-allyl-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-methoxy-2-(methoxymethyl)tetrahydrofuran-3-yl] methylphosphonothioate

SMILES: COC[C@H]1O[C@H](C(OC)[C@H]1OP(C)([O-])=S)n1cnc2c1ncn(CC=C)c2=O

InChI Key: InChIKey=PIMJVLDKVZVLAH-AABXQOAMSA-M

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 = 50127517   

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)	BDBM50127517 (O-[5-(1-allyl-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-m...) Show SMILES COC[C@H]1O[C@H](C(OC)[C@H]1OP(C)([O-])=S)n1cnc2c1ncn(CC=C)c2=O Show InChI InChI=1S/C16H23N4O6PS/c1-5-6-19-8-18-14-11(15(19)21)17-9-20(14)16-13(24-3)12(26-27(4,22)28)10(25-16)7-23-2/h5,8-10,12-13,16H,1,6-7H2,2-4H3,(H,22,28)/p-1/t10-,12+,13?,16-,27?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibitory activity of compound against reverse transcriptase (RT) in cell free RT.				J Med Chem 46: 1878-85 (2003) Article DOI: 10.1021/jm0203276 BindingDB Entry DOI: 10.7270/Q25X29NG
					More data for this Ligand-Target Pair