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BDBM2006 10-ethyl-14-methyl-12-nitro-2-oxa-4,10-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-9-one::Pyridobenzoxazepinone 74

SMILES: CCN1c2c(Oc3ncccc3C1=O)cc(C)cc2[N+]([O-])=O

InChI Key: InChIKey=JMMPZYQZVRRZDH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 2006   
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)
BDBM2006
PNG
(10-ethyl-14-methyl-12-nitro-2-oxa-4,10-diazatricyc...)
Show SMILES CCN1c2c(Oc3ncccc3C1=O)cc(C)cc2[N+]([O-])=O
Show InChI InChI=1S/C15H13N3O4/c1-3-17-13-11(18(20)21)7-9(2)8-12(13)22-14-10(15(17)19)5-4-6-16-14/h4-8H,3H2,1-2H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 31n/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