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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 2955   
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


(Human immunodeficiency virus 1)
BDBM2955
PNG
(GW420867X | HBY1293 | propan-2-yl (2S)-2-ethyl-7-f...)
Show SMILES CC[C@@H]1N(C(=O)OC(C)C)c2cc(F)ccc2NC1=O |r|
Show InChI InChI=1S/C14H17FN2O3/c1-4-11-13(18)16-10-6-5-9(15)7-12(10)17(11)14(19)20-8(2)3/h5-8,11H,4H2,1-3H3,(H,16,18)/t11-/m0/s1
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UniProtKB/TrEMBL

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PC cid
PC sid
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Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2955
PNG
(GW420867X | HBY1293 | propan-2-yl (2S)-2-ethyl-7-f...)
Show SMILES CC[C@@H]1N(C(=O)OC(C)C)c2cc(F)ccc2NC1=O |r|
Show InChI InChI=1S/C14H17FN2O3/c1-4-11-13(18)16-10-6-5-9(15)7-12(10)17(11)14(19)20-8(2)3/h5-8,11H,4H2,1-3H3,(H,16,18)/t11-/m0/s1
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UniProtKB/SwissProt

B.MOAD
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PC sid
PDB
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MMDB
PDB
Article
PubMed
n/an/a 179n/an/an/an/a8.237



DuPont Pharmaceuticals Company



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


Bioorg Med Chem Lett 10: 1729-31 (2000)


Article DOI: 10.1016/s0960-894x(00)00321-8
BindingDB Entry DOI: 10.7270/Q2RR1WF0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)