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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase/RNaseH' and Ligand = 'BDBM50533377'   
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/RNaseH


(Human immunodeficiency virus 1)
BDBM50533377
PNG
(CHEMBL4475877)
Show SMILES COc1ccc(c(OC)c1)-c1cccc(Nc2cc(=O)n(O)c(=O)[nH]2)c1
Show InChI InChI=1S/C18H17N3O5/c1-25-13-6-7-14(15(9-13)26-2)11-4-3-5-12(8-11)19-16-10-17(22)21(24)18(23)20-16/h3-10,19,24H,1-2H3,(H,20,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of full length recombinant HIV1 reverse transcriptase assessed as reduction in nonspecific internal cleavage using HTS...


J Med Chem 59: 2648-59 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01879
BindingDB Entry DOI: 10.7270/Q2QN6B8P
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50533377
PNG
(CHEMBL4475877)
Show SMILES COc1ccc(c(OC)c1)-c1cccc(Nc2cc(=O)n(O)c(=O)[nH]2)c1
Show InChI InChI=1S/C18H17N3O5/c1-25-13-6-7-14(15(9-13)26-2)11-4-3-5-12(8-11)19-16-10-17(22)21(24)18(23)20-16/h3-10,19,24H,1-2H3,(H,20,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 540n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of full length recombinant HIV1 reverse transcriptase assessed as reduction in DNA 3'-end cleavage using HTS2 substrat...


J Med Chem 59: 2648-59 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01879
BindingDB Entry DOI: 10.7270/Q2QN6B8P
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50533377
PNG
(CHEMBL4475877)
Show SMILES COc1ccc(c(OC)c1)-c1cccc(Nc2cc(=O)n(O)c(=O)[nH]2)c1
Show InChI InChI=1S/C18H17N3O5/c1-25-13-6-7-14(15(9-13)26-2)11-4-3-5-12(8-11)19-16-10-17(22)21(24)18(23)20-16/h3-10,19,24H,1-2H3,(H,20,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of full length recombinant HIV1 reverse transcriptase assessed as reduction in RNA 5'-end directed cleavage using HTS3...


J Med Chem 59: 2648-59 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01879
BindingDB Entry DOI: 10.7270/Q2QN6B8P
More data for this
Ligand-Target Pair