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PubMed code 26162497

Compile data set for download or QSAR
Found 5 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)
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 22n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin deoxyuridine triphosphate (biotin-dUTP) incorp...


Bioorg Med Chem 23: 4248-4255 (2015)


Article DOI: 10.1016/j.bmc.2015.06.048
BindingDB Entry DOI: 10.7270/Q2DZ0CB1
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498427
PNG
(CHEMBL3593877)
Show SMILES Cc1cc(cc(C)c1Oc1ccnc(SCC(=O)Nc2ccccc2Cl)n1)C#N
Show InChI InChI=1S/C21H17ClN4O2S/c1-13-9-15(11-23)10-14(2)20(13)28-19-7-8-24-21(26-19)29-12-18(27)25-17-6-4-3-5-16(17)22/h3-10H,12H2,1-2H3,(H,25,27)
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UniChem
Article
PubMed
n/an/a 473n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin deoxyuridine triphosphate (biotin-dUTP) incorp...


Bioorg Med Chem 23: 4248-4255 (2015)


Article DOI: 10.1016/j.bmc.2015.06.048
BindingDB Entry DOI: 10.7270/Q2DZ0CB1
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 807n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin deoxyuridine triphosphate (biotin-dUTP) incorp...


Bioorg Med Chem 23: 4248-4255 (2015)


Article DOI: 10.1016/j.bmc.2015.06.048
BindingDB Entry DOI: 10.7270/Q2DZ0CB1
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498428
PNG
(CHEMBL3593248)
Show SMILES Cc1cc(cc(C)c1Oc1ccnc(SCC(=O)Nc2ccccc2[N+]([O-])=O)n1)C#N
Show InChI InChI=1S/C21H17N5O4S/c1-13-9-15(11-22)10-14(2)20(13)30-19-7-8-23-21(25-19)31-12-18(27)24-16-5-3-4-6-17(16)26(28)29/h3-10H,12H2,1-2H3,(H,24,27)
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UniChem
Article
PubMed
n/an/a 1.17E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin deoxyuridine triphosphate (biotin-dUTP) incorp...


Bioorg Med Chem 23: 4248-4255 (2015)


Article DOI: 10.1016/j.bmc.2015.06.048
BindingDB Entry DOI: 10.7270/Q2DZ0CB1
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498429
PNG
(CHEMBL3593512)
Show SMILES Cc1cc(ccc1NC(=O)CSc1nccc(Oc2c(C)cc(cc2C)C#N)n1)S(N)(=O)=O
Show InChI InChI=1S/C22H21N5O4S2/c1-13-10-17(33(24,29)30)4-5-18(13)26-19(28)12-32-22-25-7-6-20(27-22)31-21-14(2)8-16(11-23)9-15(21)3/h4-10H,12H2,1-3H3,(H,26,28)(H2,24,29,30)
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PC cid
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UniChem
Article
PubMed
n/an/a 2.78E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin deoxyuridine triphosphate (biotin-dUTP) incorp...


Bioorg Med Chem 23: 4248-4255 (2015)


Article DOI: 10.1016/j.bmc.2015.06.048
BindingDB Entry DOI: 10.7270/Q2DZ0CB1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%