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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 12889   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)
BDBM12889
PNG
((5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[[(4-aminophe...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C32H38N4O7S/c1-21(2)18-35(44(41,42)27-14-12-25(33)13-15-27)19-29(38)28(16-23-8-5-4-6-9-23)34-31(39)30-20-36(32(40)43-30)26-11-7-10-24(17-26)22(3)37/h4-15,17,21,28-30,38H,16,18-20,33H2,1-3H3,(H,34,39)/t28-,29+,30-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0320n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...


J Med Chem 49: 7342-56 (2006)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q25T3HQ6
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM12889
PNG
((5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[[(4-aminophe...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C32H38N4O7S/c1-21(2)18-35(44(41,42)27-14-12-25(33)13-15-27)19-29(38)28(16-23-8-5-4-6-9-23)34-31(39)30-20-36(32(40)43-30)26-11-7-10-24(17-26)22(3)37/h4-15,17,21,28-30,38H,16,18-20,33H2,1-3H3,(H,34,39)/t28-,29+,30-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0320n/an/an/an/an/an/an/an/a



UMBI

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease Q7K mutant by FRET method


J Med Chem 52: 737-54 (2009)


Article DOI: 10.1021/jm8009525
BindingDB Entry DOI: 10.7270/Q2PN98FX
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM12889
PNG
((5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[[(4-aminophe...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C32H38N4O7S/c1-21(2)18-35(44(41,42)27-14-12-25(33)13-15-27)19-29(38)28(16-23-8-5-4-6-9-23)34-31(39)30-20-36(32(40)43-30)26-11-7-10-24(17-26)22(3)37/h4-15,17,21,28-30,38H,16,18-20,33H2,1-3H3,(H,34,39)/t28-,29+,30-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0324n/an/an/an/an/an/an/an/a



UMBI

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease Q7K mutant by FRET method


J Med Chem 52: 737-54 (2009)


Article DOI: 10.1021/jm8009525
BindingDB Entry DOI: 10.7270/Q2PN98FX
More data for this
Ligand-Target Pair