NIAID Home
/
Enzyme Inhibition Search
/ Structure Based Search
Anti-HIV enzyme inhibition data
This database contains approximately 47,000 lines of data linked to 25,007 compounds. The database contains inhibitory data (i.e. IC50, Ki, Km, etc) on componds tested against viral and cellular enzymes and receptors.
Upload a molfile to applet:
(Hint: 1. Choose a mol file. 2. Upload.)
a mol file.
Structure:
Data:
MarvinSketch courtesy of
ChemAxon
Click structure input box below to show/hide the MarvinSketch
?
Select Field:
SELECT A FIELD
ENZYME
TARGET
MUTATION
HIV STRAIN TYPE
COMPOUND CLASS
Enter Term:
AND
AND NOT
OR
?
Select Field:
SELECT A FIELD
ENZYME
TARGET
MUTATION
HIV STRAIN TYPE
COMPOUND CLASS
Enter Term:
AND
AND NOT
OR
Search Option:
?
  Select Quantitative Field:
SELECT A FIELD
IC50 or Ki < = [µM]
IC50 or Ki > = [µM]
RELATIVE RESISTANCE < =
RELATIVE RESISTANCE > =
MOL WGT < =
MOL WGT > =
MOL WGT Range
Estimated Log P < =
Estimated Log P > =
Estimated Log P Range
Enter Numeric Value:
AND
AND NOT
OR
?
  Select Quantitative Field:
SELECT A FIELD
IC50 or Ki < = [µM]
IC50 or Ki > = [µM]
RELATIVE RESISTANCE < =
RELATIVE RESISTANCE > =
MOL WGT < =
MOL WGT > =
MOL WGT Range
Estimated Log P < =
Estimated Log P > =
Estimated Log P Range
Enter Numeric Value:
Search Type:
Similarity
45
50
55
60
65
70
75
80
85
90
95
100
Flexmatch
Cis/trans or stereo isomers
Tautomers
Parent molecule
Most flexible match
Substructure Search
Exact Match
This page can be used to query the subset of EI structures and data.
Home
|
Privacy Statement
|
Help
comments:
chemweb@niaid.nih.gov