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BDBM50110797 9-[4-(Diphosphoryloxyphosphonylmethoxy)-cyclopent-2-enyl]guanine::9-[4-(Diphosphoryloxyphosphonylmethoxy)cyclopent-2-enyl]guanine::CHEMBL538904

SMILES: Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OCP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C1

InChI Key: InChIKey=FBSKDDHRSQBRNC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50110797   
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)
BDBM50110797
PNG
(9-[4-(Diphosphoryloxyphosphonylmethoxy)-cyclopent-...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OCP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C1 |c:30|
Show InChI InChI=1S/C11H16N5O11P3/c12-11-14-9-8(10(17)15-11)13-4-16(9)6-1-2-7(3-6)25-5-28(18,19)26-30(23,24)27-29(20,21)22/h1-2,4,6-7H,3,5H2,(H,18,19)(H,23,24)(H2,20,21,22)(H3,12,14,15,17)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 300n/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