BindingDB logo
myBDB logout

PubMed code 12419377

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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 [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9235
PNG
((2S)-N-(cyclopentylmethyl)-3-[(3S,5R)-3,5-dibenzyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)C1=O)CC1CCCC1 |r|
Show InChI InChI=1S/C34H42N2O5S/c1-41-32-16-18-33(19-17-32)42(39,40)35(23-28-14-8-9-15-28)24-31(37)25-36-30(21-27-12-6-3-7-13-27)22-29(34(36)38)20-26-10-4-2-5-11-26/h2-7,10-13,16-19,28-31,37H,8-9,14-15,20-25H2,1H3/t29-,30-,31+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


Bioorg Med Chem Lett 12: 3431-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00733-3
BindingDB Entry DOI: 10.7270/Q2B27SGV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9234
PNG
((2S)-3-[(3S)-3-benzyl-5-oxo-1-oxa-4-azaspiro[5.5]u...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)COC2(CCCCC2)C1=O)CC1CCCC1 |r|
Show InChI InChI=1S/C32H44N2O6S/c1-39-29-14-16-30(17-15-29)41(37,38)33(21-26-12-6-7-13-26)22-28(35)23-34-27(20-25-10-4-2-5-11-25)24-40-32(31(34)36)18-8-3-9-19-32/h2,4-5,10-11,14-17,26-28,35H,3,6-9,12-13,18-24H2,1H3/t27-,28+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


Bioorg Med Chem Lett 12: 3431-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00733-3
BindingDB Entry DOI: 10.7270/Q2B27SGV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9232
PNG
((2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-8-oxa-2-az...)
Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CC2(CCOCC2)C1=O |r|
Show InChI InChI=1S/C36H42N2O5/c39-30(24-38-29(20-26-11-5-2-6-12-26)23-36(35(38)42)15-17-43-18-16-36)21-28(19-25-9-3-1-4-10-25)34(41)37-33-31-14-8-7-13-27(31)22-32(33)40/h1-14,28-30,32-33,39-40H,15-24H2,(H,37,41)/t28-,29+,30+,32-,33+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
23n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


Bioorg Med Chem Lett 12: 3431-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00733-3
BindingDB Entry DOI: 10.7270/Q2B27SGV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9231
PNG
((2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro...)
Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CC2(CCCCC2)C1=O |r|
Show InChI InChI=1S/C37H44N2O4/c40-31(25-39-30(21-27-14-6-2-7-15-27)24-37(36(39)43)18-10-3-11-19-37)22-29(20-26-12-4-1-5-13-26)35(42)38-34-32-17-9-8-16-28(32)23-33(34)41/h1-2,4-9,12-17,29-31,33-34,40-41H,3,10-11,18-25H2,(H,38,42)/t29-,30+,31+,33-,34+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


Bioorg Med Chem Lett 12: 3431-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00733-3
BindingDB Entry DOI: 10.7270/Q2B27SGV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9233
PNG
((2R,4S)-2-benzyl-5-[(3S)-3,8-dibenzyl-1-oxo-2,8-di...)
Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CC2(CCN(Cc3ccccc3)CC2)C1=O |r|
Show InChI InChI=1S/C43H49N3O4/c47-37(26-35(24-31-12-4-1-5-13-31)41(49)44-40-38-19-11-10-18-34(38)27-39(40)48)30-46-36(25-32-14-6-2-7-15-32)28-43(42(46)50)20-22-45(23-21-43)29-33-16-8-3-9-17-33/h1-19,35-37,39-40,47-48H,20-30H2,(H,44,49)/t35-,36+,37+,39-,40+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


Bioorg Med Chem Lett 12: 3431-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00733-3
BindingDB Entry DOI: 10.7270/Q2B27SGV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%