BDBM50110798 CHEMBL277903::P,P'-Bis {[4-(adenine-9-yl)cyclopent-2-enyl]oxy-methylphosphonyl}phosphate

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

InChI Key: InChIKey=JDCKPZRCDOXPOF-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 = 50110798   

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)	BDBM50110798 (CHEMBL277903 | P,P'-Bis {[4-(adenine-9-yl)cyclopen...) Show SMILES Nc1ncnc2n(cnc12)C1CC(OCP(O)(=O)OP(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c(N)ncnc23)C=C1 |c:33,48| Show InChI InChI=1S/C22H27N10O10P3/c23-19-17-21(27-7-25-19)31(9-29-17)13-1-3-15(5-13)39-11-43(33,34)41-45(37,38)42-44(35,36)12-40-16-4-2-14(6-16)32-10-30-18-20(24)26-8-28-22(18)32/h1-4,7-10,13-16H,5-6,11-12H2,(H,33,34)(H,35,36)(H,37,38)(H2,23,25,27)(H2,24,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+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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