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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 = 'BDBM50070532'   
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)
BDBM50070532
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[(1R,2R)-2-(3-ethoxy-2-...)
Show SMILES CCOc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C18H19BrFN3O3/c1-3-26-14-6-5-13(25-2)16(17(14)20)11-8-12(11)22-18(24)23-15-7-4-10(19)9-21-15/h4-7,9,11-12H,3,8H2,1-2H3,(H2,21,22,23,24)/t11-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 7n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50070532
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[(1R,2R)-2-(3-ethoxy-2-...)
Show SMILES CCOc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C18H19BrFN3O3/c1-3-26-14-6-5-13(25-2)16(17(14)20)11-8-12(11)22-18(24)23-15-7-4-10(19)9-21-15/h4-7,9,11-12H,3,8H2,1-2H3,(H2,21,22,23,24)/t11-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 90n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50070532
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[(1R,2R)-2-(3-ethoxy-2-...)
Show SMILES CCOc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C18H19BrFN3O3/c1-3-26-14-6-5-13(25-2)16(17(14)20)11-8-12(11)22-18(24)23-15-7-4-10(19)9-21-15/h4-7,9,11-12H,3,8H2,1-2H3,(H2,21,22,23,24)/t11-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 240n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair