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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50508781'   
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)
BDBM50508781
PNG
(CHEMBL4577391)
Show SMILES CCC(c1ccccc1)n1c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C16H15ClN2O/c1-2-14(11-6-4-3-5-7-11)19-15-10-12(17)8-9-13(15)18-16(19)20/h3-10,14H,2H2,1H3,(H,18,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508781
PNG
(CHEMBL4577391)
Show SMILES CCC(c1ccccc1)n1c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C16H15ClN2O/c1-2-14(11-6-4-3-5-7-11)19-15-10-12(17)8-9-13(15)18-16(19)20/h3-10,14H,2H2,1H3,(H,18,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>200n/an/an/an/an/an/a



Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508781
PNG
(CHEMBL4577391)
Show SMILES CCC(c1ccccc1)n1c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C16H15ClN2O/c1-2-14(11-6-4-3-5-7-11)19-15-10-12(17)8-9-13(15)18-16(19)20/h3-10,14H,2H2,1H3,(H,18,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>200n/an/an/an/an/an/a



Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair