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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase/RNaseH' and Ligand = 'BDBM50533381'   
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)
BDBM50533381
PNG
(CHEMBL4531433)
Show SMILES COc1ccc(cc1)-c1ccc(Oc2cc(=O)n(O)c(=O)n2C)cc1
Show InChI InChI=1S/C18H16N2O5/c1-19-17(11-16(21)20(23)18(19)22)25-15-9-5-13(6-10-15)12-3-7-14(24-2)8-4-12/h3-11,23H,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+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 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)
BDBM50533381
PNG
(CHEMBL4531433)
Show SMILES COc1ccc(cc1)-c1ccc(Oc2cc(=O)n(O)c(=O)n2C)cc1
Show InChI InChI=1S/C18H16N2O5/c1-19-17(11-16(21)20(23)18(19)22)25-15-9-5-13(6-10-15)12-3-7-14(24-2)8-4-12/h3-11,23H,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of re-constituted HIV1 reverse transcriptase RNase H domain fragment


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)
BDBM50533381
PNG
(CHEMBL4531433)
Show SMILES COc1ccc(cc1)-c1ccc(Oc2cc(=O)n(O)c(=O)n2C)cc1
Show InChI InChI=1S/C18H16N2O5/c1-19-17(11-16(21)20(23)18(19)22)25-15-9-5-13(6-10-15)12-3-7-14(24-2)8-4-12/h3-11,23H,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/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)
BDBM50533381
PNG
(CHEMBL4531433)
Show SMILES COc1ccc(cc1)-c1ccc(Oc2cc(=O)n(O)c(=O)n2C)cc1
Show InChI InChI=1S/C18H16N2O5/c1-19-17(11-16(21)20(23)18(19)22)25-15-9-5-13(6-10-15)12-3-7-14(24-2)8-4-12/h3-11,23H,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+4n/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