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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase/RNaseH' and Ligand = 'BDBM50148764'   
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/RNaseH


(Human immunodeficiency virus 1)
BDBM50148764
PNG
(CHEMBL3142919 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCOP(O)(=O)C(=O)OCc2ccccc2)c1=O |r,c:21|
Show InChI InChI=1S/C35H56N3O13PSSi2/c1-24-20-38(31(40)37(29(24)39)18-15-19-47-52(42,43)32(41)46-21-25-16-13-12-14-17-25)30-28(50-55(10,11)34(5,6)7)35(26(36)23-53(44,45)51-35)27(49-30)22-48-54(8,9)33(2,3)4/h12-14,16-17,20,23,27-28,30H,15,18-19,21-22,36H2,1-11H3,(H,42,43)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1 reverse transcriptase (RT) using poly rC.dG as the template or primer


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50148764
PNG
(CHEMBL3142919 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCOP(O)(=O)C(=O)OCc2ccccc2)c1=O |r,c:21|
Show InChI InChI=1S/C35H56N3O13PSSi2/c1-24-20-38(31(40)37(29(24)39)18-15-19-47-52(42,43)32(41)46-21-25-16-13-12-14-17-25)30-28(50-55(10,11)34(5,6)7)35(26(36)23-53(44,45)51-35)27(49-30)22-48-54(8,9)33(2,3)4/h12-14,16-17,20,23,27-28,30H,15,18-19,21-22,36H2,1-11H3,(H,42,43)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.12E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1/138Lys reverse transcriptase (RT) using [3H]dGTP as a radioligand


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair