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PubMed code 26898379

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)
BDBM50500854
PNG
(CHEMBL3786553)
Show SMILES COc1ccc(CN(C)c2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1
Show InChI InChI=1S/C21H21Cl2N3O2/c1-13-19(11-16-17(22)5-4-6-18(16)23)24-21(25-20(13)27)26(2)12-14-7-9-15(28-3)10-8-14/h4-10H,11-12H2,1-3H3,(H,24,25,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 His-tagged p66/p51 reverse transcriptase expressed in Escherichia coli assessed as reduction in [3H]dTTP incorporation...


J Med Chem 59: 2747-59 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01979
BindingDB Entry DOI: 10.7270/Q2X06B1V
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50500855
PNG
(CHEMBL3786368)
Show SMILES CN(Cc1ccc(cc1)[N+]([O-])=O)c1nc(Cc2c(Cl)cccc2Cl)c(C)c(=O)[nH]1
Show InChI InChI=1S/C20H18Cl2N4O3/c1-12-18(10-15-16(21)4-3-5-17(15)22)23-20(24-19(12)27)25(2)11-13-6-8-14(9-7-13)26(28)29/h3-9H,10-11H2,1-2H3,(H,23,24,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 His-tagged p66/p51 reverse transcriptase expressed in Escherichia coli assessed as reduction in [3H]dTTP incorporation...


J Med Chem 59: 2747-59 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01979
BindingDB Entry DOI: 10.7270/Q2X06B1V
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50500853
PNG
(CHEMBL3786696)
Show SMILES COc1ccc(CN(C)c2nc(C(C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H23Cl2N3O2/c1-13(19-17(23)6-5-7-18(19)24)20-14(2)21(28)26-22(25-20)27(3)12-15-8-10-16(29-4)11-9-15/h5-11,13H,12H2,1-4H3,(H,25,26,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 His-tagged p66/p51 reverse transcriptase expressed in Escherichia coli assessed as reduction in [3H]dTTP incorporation...


J Med Chem 59: 2747-59 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01979
BindingDB Entry DOI: 10.7270/Q2X06B1V
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50500852
PNG
(CHEMBL3787239)
Show SMILES CN(Cc1ccc(cc1)N1CCOCC1)c1nc(Cc2c(Cl)cccc2Cl)c(C)c(=O)[nH]1
Show InChI InChI=1S/C24H26Cl2N4O2/c1-16-22(14-19-20(25)4-3-5-21(19)26)27-24(28-23(16)31)29(2)15-17-6-8-18(9-7-17)30-10-12-32-13-11-30/h3-9H,10-15H2,1-2H3,(H,27,28,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 His-tagged p66/p51 reverse transcriptase expressed in Escherichia coli assessed as reduction in [3H]dTTP incorporation...


J Med Chem 59: 2747-59 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01979
BindingDB Entry DOI: 10.7270/Q2X06B1V
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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
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MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 125n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 His-tagged p66/p51 reverse transcriptase expressed in Escherichia coli assessed as reduction in [3H]dTTP incorporation...


J Med Chem 59: 2747-59 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01979
BindingDB Entry DOI: 10.7270/Q2X06B1V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%