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BDBM2012 Pyridobenzoxazepinone 80::methyl 10,14-dimethyl-9-oxo-2-oxa-4,10-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaene-12-carboxylate

SMILES: COC(=O)c1cc(C)cc2Oc3ncccc3C(=O)N(C)c12

InChI Key: InChIKey=MJMDFEZUPZGSHT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 2012   
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
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2012
PNG
(Pyridobenzoxazepinone 80 | methyl 10,14-dimethyl-9...)
Show SMILES COC(=O)c1cc(C)cc2Oc3ncccc3C(=O)N(C)c12
Show InChI InChI=1S/C16H14N2O4/c1-9-7-11(16(20)21-3)13-12(8-9)22-14-10(5-4-6-17-14)15(19)18(13)2/h4-8H,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair