BDBM50110795 CHEMBL23428::NA1::P,P'-Bis {[4-(adenine-9-yl)cyclopent-2-enyl]oxy-methylphosphonyl}difluorodiphosphonate

SMILES: Nc1ncnc2n(cnc12)C1CC(OCP(O)(=O)OP(O)(=O)C(F)(F)P(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c(N)ncnc23)C=C1

InChI Key: InChIKey=GVZAEXKUARHYGT-UHFFFAOYSA-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 = 50110795   

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)	BDBM50110795 (CHEMBL23428 | NA1 | P,P'-Bis {[4-(adenine-9-yl)cyc...) Show SMILES Nc1ncnc2n(cnc12)C1CC(OCP(O)(=O)OP(O)(=O)C(F)(F)P(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c(N)ncnc23)C=C1 |c:39,54| Show InChI InChI=1S/C23H28F2N10O12P4/c24-23(25,50(40,41)46-48(36,37)11-44-15-3-1-13(5-15)34-9-32-17-19(26)28-7-30-21(17)34)51(42,43)47-49(38,39)12-45-16-4-2-14(6-16)35-10-33-18-20(27)29-8-31-22(18)35/h1-4,7-10,13-16H,5-6,11-12H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,26,28,30)(H2,27,29,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of DNA synthesis by HIV reverse transcriptase				J Med Chem 45: 1284-91 (2002) BindingDB Entry DOI: 10.7270/Q2PR7V9F
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