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BDBM2914 (3R,5S)-5-(2-cyclopropylethynyl)-7-fluoro-3-methyl-5-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepin-2-one::4,1-Benzoxazepinone analogue 1l

SMILES: C[C@H]1O[C@@](C#CC2CC2)(c2cc(F)ccc2NC1=O)C(F)(F)F

InChI Key: InChIKey=CXFITMZADXBGRR-PSLIRLAXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 2914   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2914
PNG
((3R,5S)-5-(2-cyclopropylethynyl)-7-fluoro-3-methyl...)
Show SMILES C[C@H]1O[C@@](C#CC2CC2)(c2cc(F)ccc2NC1=O)C(F)(F)F
Show InChI InChI=1S/C16H13F4NO2/c1-9-14(22)21-13-5-4-11(17)8-12(13)15(23-9,16(18,19)20)7-6-10-2-3-10/h4-5,8-10H,2-3H2,1H3,(H,21,22)/t9-,15+/m1/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.94E+3n/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 11: 1389-92 (2001)


Article DOI: 10.1016/s0960-894x(01)00239-6
BindingDB Entry DOI: 10.7270/Q24X560J
More data for this
Ligand-Target Pair