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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50467341'   
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)
BDBM50467341
PNG
(CHEMBL4294624)
Show SMILES Cl.Cc1cc(C)c(Nc2nc(N)nc(Nc3ccc(nc3)C#N)n2)c(C)c1
Show InChI InChI=1S/C18H18N8/c1-10-6-11(2)15(12(3)7-10)23-18-25-16(20)24-17(26-18)22-14-5-4-13(8-19)21-9-14/h4-7,9H,1-3H3,(H4,20,22,23,24,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.131n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of CXCR4 tropic HIV1 3B reverse transcriptase infected in human TZM-bl cells


Eur J Med Chem 158: 371-392 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.013
BindingDB Entry DOI: 10.7270/Q2V98BRH
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50467341
PNG
(CHEMBL4294624)
Show SMILES Cl.Cc1cc(C)c(Nc2nc(N)nc(Nc3ccc(nc3)C#N)n2)c(C)c1
Show InChI InChI=1S/C18H18N8/c1-10-6-11(2)15(12(3)7-10)23-18-25-16(20)24-17(26-18)22-14-5-4-13(8-19)21-9-14/h4-7,9H,1-3H3,(H4,20,22,23,24,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.183n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of CCR5 tropic HIV1 ADA5 reverse transcriptase infected in human TZM-bl cells


Eur J Med Chem 158: 371-392 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.013
BindingDB Entry DOI: 10.7270/Q2V98BRH
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50467341
PNG
(CHEMBL4294624)
Show SMILES Cl.Cc1cc(C)c(Nc2nc(N)nc(Nc3ccc(nc3)C#N)n2)c(C)c1
Show InChI InChI=1S/C18H18N8/c1-10-6-11(2)15(12(3)7-10)23-18-25-16(20)24-17(26-18)22-14-5-4-13(8-19)21-9-14/h4-7,9H,1-3H3,(H4,20,22,23,24,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.183n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of CCR5 tropic HIV1 VB59 reverse transcriptase infected in human TZM-bl cells


Eur J Med Chem 158: 371-392 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.013
BindingDB Entry DOI: 10.7270/Q2V98BRH
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50467341
PNG
(CHEMBL4294624)
Show SMILES Cl.Cc1cc(C)c(Nc2nc(N)nc(Nc3ccc(nc3)C#N)n2)c(C)c1
Show InChI InChI=1S/C18H18N8/c1-10-6-11(2)15(12(3)7-10)23-18-25-16(20)24-17(26-18)22-14-5-4-13(8-19)21-9-14/h4-7,9H,1-3H3,(H4,20,22,23,24,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.784n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of CXCR4 tropic HIV1 UG070 reverse transcriptase infected in human TZM-bl cells


Eur J Med Chem 158: 371-392 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.013
BindingDB Entry DOI: 10.7270/Q2V98BRH
More data for this
Ligand-Target Pair