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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 = 'BDBM50533403'   
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)
BDBM50533403
PNG
(CHEMBL4563882)
Show SMILES COc1ccc(cc1OC)-c1cccc(Nc2cc(=O)n(O)c(=O)n2C)c1
Show InChI InChI=1S/C19H19N3O5/c1-21-17(11-18(23)22(25)19(21)24)20-14-6-4-5-12(9-14)13-7-8-15(26-2)16(10-13)27-3/h4-11,20,25H,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/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)
BDBM50533403
PNG
(CHEMBL4563882)
Show SMILES COc1ccc(cc1OC)-c1cccc(Nc2cc(=O)n(O)c(=O)n2C)c1
Show InChI InChI=1S/C19H19N3O5/c1-21-17(11-18(23)22(25)19(21)24)20-14-6-4-5-12(9-14)13-7-8-15(26-2)16(10-13)27-3/h4-11,20,25H,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/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)
BDBM50533403
PNG
(CHEMBL4563882)
Show SMILES COc1ccc(cc1OC)-c1cccc(Nc2cc(=O)n(O)c(=O)n2C)c1
Show InChI InChI=1S/C19H19N3O5/c1-21-17(11-18(23)22(25)19(21)24)20-14-6-4-5-12(9-14)13-7-8-15(26-2)16(10-13)27-3/h4-11,20,25H,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+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 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)
BDBM50533403
PNG
(CHEMBL4563882)
Show SMILES COc1ccc(cc1OC)-c1cccc(Nc2cc(=O)n(O)c(=O)n2C)c1
Show InChI InChI=1S/C19H19N3O5/c1-21-17(11-18(23)22(25)19(21)24)20-14-6-4-5-12(9-14)13-7-8-15(26-2)16(10-13)27-3/h4-11,20,25H,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+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