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BDBM50130700 1-(5-Hydroxymethyl-bicyclo[3.1.0]hex-3-en-2-yl)-5-methyl-1H-pyrimidine-2,4-dione; triphosphate

SMILES: Cc1cn(C2C=C[C@]3(COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C[C@H]23)c(=O)[nH]c1=O

InChI Key: InChIKey=JTFZQNJUWZQTAU-YKXYSFTHSA-J

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50130700   
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)
BDBM50130700
PNG
(1-(5-Hydroxymethyl-bicyclo[3.1.0]hex-3-en-2-yl)-5-...)
Show SMILES Cc1cn(C2C=C[C@]3(COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C[C@H]23)c(=O)[nH]c1=O |c:5|
Show InChI InChI=1S/C12H17N2O12P3/c1-7-5-14(11(16)13-10(7)15)9-2-3-12(4-8(9)12)6-24-28(20,21)26-29(22,23)25-27(17,18)19/h2-3,5,8-9H,4,6H2,1H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/p-4/t8-,9?,12-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 650n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Reverse transcriptase (RT)


J Med Chem 46: 3292-9 (2003)


Article DOI: 10.1021/jm030116g
BindingDB Entry DOI: 10.7270/Q2PR7WRP
More data for this
Ligand-Target Pair