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PubMed code 24055077

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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)
BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type HIV-1 reverse transcriptase p66/p51 expressed in Escherichia coli JM109 using poly(rA)/oligo(dT)16 (1:1.2) as tem...


Bioorg Med Chem 21: 6477-83 (2013)


Article DOI: 10.1016/j.bmc.2013.08.040
BindingDB Entry DOI: 10.7270/Q2KK9FRD
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type HIV-1 reverse transcriptase p66/p51 expressed in Escherichia coli JM109 using poly(rA)/oligo(dT)16 (1:1.2) as tem...


Bioorg Med Chem 21: 6477-83 (2013)


Article DOI: 10.1016/j.bmc.2013.08.040
BindingDB Entry DOI: 10.7270/Q2KK9FRD
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50493800
PNG
(CHEMBL2443101)
Show SMILES COc1ccc(CSc2nc(C(=O)c3cccc(F)c3)c(C(C)C)c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H21FN2O3S/c1-13(2)18-19(20(26)15-5-4-6-16(23)11-15)24-22(25-21(18)27)29-12-14-7-9-17(28-3)10-8-14/h4-11,13H,12H2,1-3H3,(H,24,25,27)
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n/an/a 40n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type HIV-1 reverse transcriptase p66/p51 expressed in Escherichia coli JM109 using poly(rA)/oligo(dT)16 (1:1.2) as tem...


Bioorg Med Chem 21: 6477-83 (2013)


Article DOI: 10.1016/j.bmc.2013.08.040
BindingDB Entry DOI: 10.7270/Q2KK9FRD
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50493796
PNG
(CHEMBL2443100)
Show SMILES COc1ccc(CSc2nc(C(=O)c3ccccc3F)c(C(C)C)c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H21FN2O3S/c1-13(2)18-19(20(26)16-6-4-5-7-17(16)23)24-22(25-21(18)27)29-12-14-8-10-15(28-3)11-9-14/h4-11,13H,12H2,1-3H3,(H,24,25,27)
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Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type HIV-1 reverse transcriptase p66/p51 expressed in Escherichia coli JM109 using poly(rA)/oligo(dT)16 (1:1.2) as tem...


Bioorg Med Chem 21: 6477-83 (2013)


Article DOI: 10.1016/j.bmc.2013.08.040
BindingDB Entry DOI: 10.7270/Q2KK9FRD
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50493798
PNG
(CHEMBL2443106)
Show SMILES CCc1c(nc(SCc2ccc(OC)cc2)[nH]c1=O)C(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C21H18F2N2O3S/c1-3-17-18(19(26)13-8-14(22)10-15(23)9-13)24-21(25-20(17)27)29-11-12-4-6-16(28-2)7-5-12/h4-10H,3,11H2,1-2H3,(H,24,25,27)
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UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type HIV-1 reverse transcriptase p66/p51 expressed in Escherichia coli JM109 using poly(rA)/oligo(dT)16 (1:1.2) as tem...


Bioorg Med Chem 21: 6477-83 (2013)


Article DOI: 10.1016/j.bmc.2013.08.040
BindingDB Entry DOI: 10.7270/Q2KK9FRD
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50493799
PNG
(CHEMBL2443098)
Show SMILES CCc1c(nc(SCc2ccc(OC)cc2)[nH]c1=O)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C21H19FN2O3S/c1-3-17-18(19(25)14-5-4-6-15(22)11-14)23-21(24-20(17)26)28-12-13-7-9-16(27-2)10-8-13/h4-11H,3,12H2,1-2H3,(H,23,24,26)
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PC cid
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UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type HIV-1 reverse transcriptase p66/p51 expressed in Escherichia coli JM109 using poly(rA)/oligo(dT)16 (1:1.2) as tem...


Bioorg Med Chem 21: 6477-83 (2013)


Article DOI: 10.1016/j.bmc.2013.08.040
BindingDB Entry DOI: 10.7270/Q2KK9FRD
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
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Article
PubMed
n/an/a 1.78E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type HIV-1 reverse transcriptase p66/p51 expressed in Escherichia coli JM109 using poly(rA)/oligo(dT)16 (1:1.2) as tem...


Bioorg Med Chem 21: 6477-83 (2013)


Article DOI: 10.1016/j.bmc.2013.08.040
BindingDB Entry DOI: 10.7270/Q2KK9FRD
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50493797
PNG
(CHEMBL2443094)
Show SMILES COc1ccc(CSc2nc(C(=O)c3ccccc3F)c(C)c(=O)[nH]2)cc1
Show InChI InChI=1S/C20H17FN2O3S/c1-12-17(18(24)15-5-3-4-6-16(15)21)22-20(23-19(12)25)27-11-13-7-9-14(26-2)10-8-13/h3-10H,11H2,1-2H3,(H,22,23,25)
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PubMed
n/an/a 2.41E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type HIV-1 reverse transcriptase p66/p51 expressed in Escherichia coli JM109 using poly(rA)/oligo(dT)16 (1:1.2) as tem...


Bioorg Med Chem 21: 6477-83 (2013)


Article DOI: 10.1016/j.bmc.2013.08.040
BindingDB Entry DOI: 10.7270/Q2KK9FRD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%