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BDBM1996 5-chloro-9-[2-(methylsulfanyl)ethyl]-2-oxa-4,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-one::Pyridobenzoxazepinone 49

SMILES: CSCCN1c2ccc(Cl)nc2Oc2ccccc2C1=O

InChI Key: InChIKey=IOWSBZYCNNDVIQ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1996   
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)
BDBM1996
PNG
(5-chloro-9-[2-(methylsulfanyl)ethyl]-2-oxa-4,9-dia...)
Show SMILES CSCCN1c2ccc(Cl)nc2Oc2ccccc2C1=O
Show InChI InChI=1S/C15H13ClN2O2S/c1-21-9-8-18-11-6-7-13(16)17-14(11)20-12-5-3-2-4-10(12)15(18)19/h2-7H,8-9H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 72n/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