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BDBM50110791 CHEMBL23522::P,P'-Bis {[4-(guanine-9-yl)cyclopent-2-enyl]oxy-methylphosphonyl}dibromodiphosphonate

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

InChI Key: InChIKey=XSBMBLMLBMCCAC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50110791   
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)
BDBM50110791
PNG
(CHEMBL23522 | P,P'-Bis {[4-(guanine-9-yl)cyclopent...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OCP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c2nc(N)[nH]c3=O)C=C1 |c:40,56|
Show InChI InChI=1S/C23H28Br2N10O14P4/c24-23(25,52(42,43)48-50(38,39)9-46-13-3-1-11(5-13)34-7-28-15-17(34)30-21(26)32-19(15)36)53(44,45)49-51(40,41)10-47-14-4-2-12(6-14)35-8-29-16-18(35)31-22(27)33-20(16)37/h1-4,7-8,11-14H,5-6,9-10H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H3,26,30,32,36)(H3,27,31,33,37)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>2.50E+5n/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