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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

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50110798   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50110798
PNG
(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
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair