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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase/RNaseH' and Ligand = 'BDBM50170146'   
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)
BDBM50170146
PNG
(CHEMBL187452 | {2-[(E)-2-(3,4-Dihydroxy-phenyl)-vi...)
Show SMILES Oc1ccc(\C=C\c2ccc3ccc(C(=O)c4ccc(cc4)[N+]([O-])=O)c(O)c3n2)cc1O
Show InChI InChI=1S/C24H16N2O6/c27-20-12-2-14(13-21(20)28)1-7-17-8-3-15-6-11-19(24(30)22(15)25-17)23(29)16-4-9-18(10-5-16)26(31)32/h1-13,27-28,30H/b7-1+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Unité Associée au CNRS

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HIV-1 recombinant integrase activity in strand transfer assay


Bioorg Med Chem Lett 15: 4019-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.036
BindingDB Entry DOI: 10.7270/Q2GM86VW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50170146
PNG
(CHEMBL187452 | {2-[(E)-2-(3,4-Dihydroxy-phenyl)-vi...)
Show SMILES Oc1ccc(\C=C\c2ccc3ccc(C(=O)c4ccc(cc4)[N+]([O-])=O)c(O)c3n2)cc1O
Show InChI InChI=1S/C24H16N2O6/c27-20-12-2-14(13-21(20)28)1-7-17-8-3-15-6-11-19(24(30)22(15)25-17)23(29)16-4-9-18(10-5-16)26(31)32/h1-13,27-28,30H/b7-1+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Unité Associée au CNRS

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HIV-1 recombinant integrase activity in standard 3'-processing assay


Bioorg Med Chem Lett 15: 4019-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.036
BindingDB Entry DOI: 10.7270/Q2GM86VW
More data for this
Ligand-Target Pair