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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase protein' and Ligand = 'BDBM50483018'   
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
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50483018
PNG
(CHEMBL485651)
Show SMILES Cc1cn([C@@H]2O[C@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C2)C#C)c(=O)[nH]c1=O |r,c:21|
Show InChI InChI=1S/C12H15N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h1,4-6,9H,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.34E+4n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase M184V mutant assessed as incorporation of 4-EdTMP by burst assay u...


Antimicrob Agents Chemother 52: 2035-42 (2008)


Article DOI: 10.1128/AAC.00083-08
BindingDB Entry DOI: 10.7270/Q2CZ39Z3
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50483018
PNG
(CHEMBL485651)
Show SMILES Cc1cn([C@@H]2O[C@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C2)C#C)c(=O)[nH]c1=O |r,c:21|
Show InChI InChI=1S/C12H15N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h1,4-6,9H,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.68E+5n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of DNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase M184V mutant assessed as incorporation of 4-EdTMP by burst assay u...


Antimicrob Agents Chemother 52: 2035-42 (2008)


Article DOI: 10.1128/AAC.00083-08
BindingDB Entry DOI: 10.7270/Q2CZ39Z3
More data for this
Ligand-Target Pair