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BDBM2939 4-(2-cyclopropylethynyl)-5-fluoro-4-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazin-2-one::Benzoxazinone deriv. 5a::CHEMBL320078

SMILES: Fc1cccc2NC(=O)OC(C#CC3CC3)(c12)C(F)(F)F

InChI Key: InChIKey=PQKFTGAJMHDMRH-UHFFFAOYNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 2939   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2939
PNG
(4-(2-cyclopropylethynyl)-5-fluoro-4-(trifluorometh...)
Show SMILES Fc1cccc2NC(=O)OC(C#CC3CC3)(c12)C(F)(F)F
Show InChI InChI=1/C14H9F4NO2/c15-9-2-1-3-10-11(9)13(14(16,17)18,21-12(20)19-10)7-6-8-4-5-8/h1-3,8H,4-5H2,(H,19,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 78n/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
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2939
PNG
(4-(2-cyclopropylethynyl)-5-fluoro-4-(trifluorometh...)
Show SMILES Fc1cccc2NC(=O)OC(C#CC3CC3)(c12)C(F)(F)F
Show InChI InChI=1/C14H9F4NO2/c15-9-2-1-3-10-11(9)13(14(16,17)18,21-12(20)19-10)7-6-8-4-5-8/h1-3,8H,4-5H2,(H,19,20)
PDB
MMDB

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 78n/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