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SMILES: [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc(F)cc1)NS(C)(=O)=O)[C@@H](C2)C(=O)NC(C)(C)C

InChI Key: InChIKey=WXOMYWCKSSDBHF-OTSXENPMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 807   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM807
PNG
((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[(2S)-3-[(4...)
Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc(F)cc1)NS(C)(=O)=O)[C@@H](C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C34H49FN4O6S2/c1-34(2,3)37-33(42)30-19-24-12-8-9-13-25(24)20-39(30)21-31(40)28(18-23-10-6-5-7-11-23)36-32(41)29(38-47(4,44)45)22-46(43)27-16-14-26(35)15-17-27/h5-7,10-11,14-17,24-25,28-31,38,40H,8-9,12-13,18-22H2,1-4H3,(H,36,41)(H,37,42)/t24-,25+,28-,29+,30-,31+,46?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 0.600n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
Inhibitory activity against HIV-1 protease


Bioorg Med Chem Lett 5: 2897-902 (1995)


BindingDB Entry DOI: 10.7270/Q22F7KMG
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM807
PNG
((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[(2S)-3-[(4...)
Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc(F)cc1)NS(C)(=O)=O)[C@@H](C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C34H49FN4O6S2/c1-34(2,3)37-33(42)30-19-24-12-8-9-13-25(24)20-39(30)21-31(40)28(18-23-10-6-5-7-11-23)36-32(41)29(38-47(4,44)45)22-46(43)27-16-14-26(35)15-17-27/h5-7,10-11,14-17,24-25,28-31,38,40H,8-9,12-13,18-22H2,1-4H3,(H,36,41)(H,37,42)/t24-,25+,28-,29+,30-,31+,46?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 0.600n/an/an/an/a5.522



Lilly Research Laboratories



Assay Description
The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...


Bioorg Med Chem Lett 5: 2897-902 (1995)


BindingDB Entry DOI: 10.7270/Q22F7KMG
More data for this
Ligand-Target Pair