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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50483693   
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)
BDBM50483693
PNG
(CHEMBL1766219)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCN1CCOCC1
Show InChI InChI=1S/C22H24N4O6S/c1-14-9-15(2)11-17(10-14)33(30,31)21-18-12-16(26(28)29)3-4-19(18)24-20(21)22(27)23-13-25-5-7-32-8-6-25/h3-4,9-12,24H,5-8,13H2,1-2H3,(H,23,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I mutant expressed in Escherichia coli assessed as incorporation of [3H]dTTP into poly(rA)/oligo(dT) by ...


J Med Chem 54: 1587-98 (2011)


Article DOI: 10.1021/jm101614j
BindingDB Entry DOI: 10.7270/Q2ZG6W3H
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50483693
PNG
(CHEMBL1766219)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCN1CCOCC1
Show InChI InChI=1S/C22H24N4O6S/c1-14-9-15(2)11-17(10-14)33(30,31)21-18-12-16(26(28)29)3-4-19(18)24-20(21)22(27)23-13-25-5-7-32-8-6-25/h3-4,9-12,24H,5-8,13H2,1-2H3,(H,23,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of HIV1 wild type reverse transcriptase expressed in Escherichia coli assessed as incorporation of [3H]dTTP into poly(rA)/oligo(dT) by sci...


J Med Chem 54: 1587-98 (2011)


Article DOI: 10.1021/jm101614j
BindingDB Entry DOI: 10.7270/Q2ZG6W3H
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50483693
PNG
(CHEMBL1766219)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCN1CCOCC1
Show InChI InChI=1S/C22H24N4O6S/c1-14-9-15(2)11-17(10-14)33(30,31)21-18-12-16(26(28)29)3-4-19(18)24-20(21)22(27)23-13-25-5-7-32-8-6-25/h3-4,9-12,24H,5-8,13H2,1-2H3,(H,23,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 864n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant expressed in Escherichia coli assessed as incorporation of [3H]dTTP into poly(rA)/oligo(dT) by ...


J Med Chem 54: 1587-98 (2011)


Article DOI: 10.1021/jm101614j
BindingDB Entry DOI: 10.7270/Q2ZG6W3H
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50483693
PNG
(CHEMBL1766219)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCN1CCOCC1
Show InChI InChI=1S/C22H24N4O6S/c1-14-9-15(2)11-17(10-14)33(30,31)21-18-12-16(26(28)29)3-4-19(18)24-20(21)22(27)23-13-25-5-7-32-8-6-25/h3-4,9-12,24H,5-8,13H2,1-2H3,(H,23,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181I mutant expressed in Escherichia coli assessed as incorporation of [3H]dTTP into poly(rA)/oligo(dT) by ...


J Med Chem 54: 1587-98 (2011)


Article DOI: 10.1021/jm101614j
BindingDB Entry DOI: 10.7270/Q2ZG6W3H
More data for this
Ligand-Target Pair