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BDBM50110800 CHEMBL23886::P,P'-Bis {[4-(guanine-9-yl)cyclopent-2-enyl]oxy-methylphosphonyl}phosphate

SMILES: Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OCP(O)(=O)OP(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c2nc(N)[nH]c3=O)C=C1

InChI Key: InChIKey=BSYNCFHKPHNSEV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50110800   
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)
BDBM50110800
PNG
(CHEMBL23886 | P,P'-Bis {[4-(guanine-9-yl)cyclopent...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OCP(O)(=O)OP(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c2nc(N)[nH]c3=O)C=C1 |c:34,50|
Show InChI InChI=1S/C22H27N10O12P3/c23-21-27-17-15(19(33)29-21)25-7-31(17)11-1-3-13(5-11)41-9-45(35,36)43-47(39,40)44-46(37,38)10-42-14-4-2-12(6-14)32-8-26-16-18(32)28-22(24)30-20(16)34/h1-4,7-8,11-14H,5-6,9-10H2,(H,35,36)(H,37,38)(H,39,40)(H3,23,27,29,33)(H3,24,28,30,34)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.00E+3n/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