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PubMed code 12852759

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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)
BDBM50130699
PNG
(1-(5-Hydroxymethyl-2,5-dihydro-furan-2-yl)-5-methy...)
Show SMILES Cc1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C=C2)c(=O)[nH]c1=O |c:21|
Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/p-4/t7-,8+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%