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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50477200'   
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)
BDBM50477200
PNG
(CHEMBL396816)
Show SMILES CCCN(C)c1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1
Show InChI InChI=1S/C17H21F2N3O/c1-5-9-22(4)17-20-15(11(3)16(23)21-17)10(2)14-12(18)7-6-8-13(14)19/h6-8,10H,5,9H2,1-4H3,(H,20,21,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
20n/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)
BDBM50477200
PNG
(CHEMBL396816)
Show SMILES CCCN(C)c1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1
Show InChI InChI=1S/C17H21F2N3O/c1-5-9-22(4)17-20-15(11(3)16(23)21-17)10(2)14-12(18)7-6-8-13(14)19/h6-8,10H,5,9H2,1-4H3,(H,20,21,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
30n/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)
BDBM50477200
PNG
(CHEMBL396816)
Show SMILES CCCN(C)c1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1
Show InChI InChI=1S/C17H21F2N3O/c1-5-9-22(4)17-20-15(11(3)16(23)21-17)10(2)14-12(18)7-6-8-13(14)19/h6-8,10H,5,9H2,1-4H3,(H,20,21,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.43E+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 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