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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 = 'BDBM5056'   
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)
BDBM5056
PNG
(N-[(2Z)-4-chloro-3-methyl-5-(propan-2-yl)-2,3-dihy...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1Cl
Show InChI InChI=1S/C13H14ClN3O4S2/c1-8(2)11-12(14)16(3)13(22-11)15-23(20,21)10-6-4-5-9(7-10)17(18)19/h4-8H,1-3H3/b15-13-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.92E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM5056
PNG
(N-[(2Z)-4-chloro-3-methyl-5-(propan-2-yl)-2,3-dihy...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1Cl
Show InChI InChI=1S/C13H14ClN3O4S2/c1-8(2)11-12(14)16(3)13(22-11)15-23(20,21)10-6-4-5-9(7-10)17(18)19/h4-8H,1-3H3/b15-13-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.92E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair