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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50477197'   
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


(Human immunodeficiency virus 1)
BDBM50477197
PNG
(CHEMBL391164)
Show SMILES CN(C)c1nc(Cc2c(F)cccc2F)cc(=O)[nH]1
Show InChI InChI=1S/C13H13F2N3O/c1-18(2)13-16-8(7-12(19)17-13)6-9-10(14)4-3-5-11(9)15/h3-5,7H,6H2,1-2H3,(H,16,17,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 3B reverse transcriptase


J Med Chem 50: 5412-24 (2007)


Article DOI: 10.1021/jm070811e
BindingDB Entry DOI: 10.7270/Q2H99803
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50477197
PNG
(CHEMBL391164)
Show SMILES CN(C)c1nc(Cc2c(F)cccc2F)cc(=O)[nH]1
Show InChI InChI=1S/C13H13F2N3O/c1-18(2)13-16-8(7-12(19)17-13)6-9-10(14)4-3-5-11(9)15/h3-5,7H,6H2,1-2H3,(H,16,17,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
500n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase V106A mutant


J Med Chem 50: 5412-24 (2007)


Article DOI: 10.1021/jm070811e
BindingDB Entry DOI: 10.7270/Q2H99803
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50477197
PNG
(CHEMBL391164)
Show SMILES CN(C)c1nc(Cc2c(F)cccc2F)cc(=O)[nH]1
Show InChI InChI=1S/C13H13F2N3O/c1-18(2)13-16-8(7-12(19)17-13)6-9-10(14)4-3-5-11(9)15/h3-5,7H,6H2,1-2H3,(H,16,17,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase V179D mutant


J Med Chem 50: 5412-24 (2007)


Article DOI: 10.1021/jm070811e
BindingDB Entry DOI: 10.7270/Q2H99803
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50477197
PNG
(CHEMBL391164)
Show SMILES CN(C)c1nc(Cc2c(F)cccc2F)cc(=O)[nH]1
Show InChI InChI=1S/C13H13F2N3O/c1-18(2)13-16-8(7-12(19)17-13)6-9-10(14)4-3-5-11(9)15/h3-5,7H,6H2,1-2H3,(H,16,17,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y188L mutant


J Med Chem 50: 5412-24 (2007)


Article DOI: 10.1021/jm070811e
BindingDB Entry DOI: 10.7270/Q2H99803
More data for this
Ligand-Target Pair