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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 2944   
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)
BDBM2944
PNG
(4-(but-1-yn-1-yl)-6-nitro-4-(trifluoromethyl)-2,4-...)
Show SMILES CCC#CC1(OC(=O)Nc2ccc(cc12)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C13H9F3N2O4/c1-2-3-6-12(13(14,15)16)9-7-8(18(20)21)4-5-10(9)17-11(19)22-12/h4-5,7H,2H2,1H3,(H,17,19)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 276n/an/an/an/an/an/a



S.G.S.I.T.S.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 6089-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.068
BindingDB Entry DOI: 10.7270/Q2XS5TVZ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2944
PNG
(4-(but-1-yn-1-yl)-6-nitro-4-(trifluoromethyl)-2,4-...)
Show SMILES CCC#CC1(OC(=O)Nc2ccc(cc12)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C13H9F3N2O4/c1-2-3-6-12(13(14,15)16)9-7-8(18(20)21)4-5-10(9)17-11(19)22-12/h4-5,7H,2H2,1H3,(H,17,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 276n/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 9: 3221-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00565-x
BindingDB Entry DOI: 10.7270/Q2WH2N65
More data for this
Ligand-Target Pair