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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50063002'   
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)
BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.50E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.54E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.59E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase G190A mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.33E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.76E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase V106A mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.99E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.27E+4n/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...


Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair