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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'rudall' and Initial = 'c'   
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)
BDBM9277
PNG
((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C28H38N2O7S/c1-19(2)16-30(38(33,34)22-11-9-20(3)10-12-22)17-25(31)24(15-21-7-5-4-6-8-21)29-28(32)37-26-18-36-27-23(26)13-14-35-27/h4-12,19,23-27,31H,13-18H2,1-3H3,(H,29,32)/t23-,24-,25+,26-,27+/m0/s1
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Article
PubMed
1.20 -50.9n/an/an/an/an/a6.425



University of Illinois at Chicago



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 8: 687-90 (1998)


Article DOI: 10.1016/s0960-894x(98)00098-5
BindingDB Entry DOI: 10.7270/Q2J101DQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9270
PNG
((3S)-1,1-dioxo--thiolan-3-yl N-[(2S,3R)-3-hydroxy-...)
Show SMILES [H][C@@]1(CCS(=O)(=O)C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C26H36N2O8S2/c1-19(2)16-28(38(33,34)23-11-9-21(35-3)10-12-23)17-25(29)24(15-20-7-5-4-6-8-20)27-26(30)36-22-13-14-37(31,32)18-22/h4-12,19,22,24-25,29H,13-18H2,1-3H3,(H,27,30)/t22-,24-,25+/m0/s1
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UniChem

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Article
PubMed
1.20 -50.9n/an/an/an/an/a6.425



University of Illinois at Chicago



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 8: 687-90 (1998)


Article DOI: 10.1016/s0960-894x(98)00098-5
BindingDB Entry DOI: 10.7270/Q2J101DQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9271
PNG
((2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...)
Show SMILES [H][C@]1(CCS(=O)(=O)[C@]1([H])C(C)C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C29H42N2O8S2/c1-20(2)18-31(41(36,37)24-13-11-23(38-5)12-14-24)19-26(32)25(17-22-9-7-6-8-10-22)30-29(33)39-27-15-16-40(34,35)28(27)21(3)4/h6-14,20-21,25-28,32H,15-19H2,1-5H3,(H,30,33)/t25-,26+,27+,28+/m0/s1
PDB
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Article
PubMed
1.40 -50.5n/an/an/an/an/a6.425



University of Illinois at Chicago



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 8: 687-90 (1998)


Article DOI: 10.1016/s0960-894x(98)00098-5
BindingDB Entry DOI: 10.7270/Q2J101DQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9272
PNG
((2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...)
Show SMILES [H][C@]1(CCS(=O)(=O)[C@]1([H])C(C)C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C28H41N3O7S2/c1-19(2)17-31(40(36,37)23-12-10-22(29)11-13-23)18-25(32)24(16-21-8-6-5-7-9-21)30-28(33)38-26-14-15-39(34,35)27(26)20(3)4/h5-13,19-20,24-27,32H,14-18,29H2,1-4H3,(H,30,33)/t24-,25+,26+,27+/m0/s1
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
1.5 -50.4n/an/an/an/an/a6.425



University of Illinois at Chicago



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 8: 687-90 (1998)


Article DOI: 10.1016/s0960-894x(98)00098-5
BindingDB Entry DOI: 10.7270/Q2J101DQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9273
PNG
((3S)-oxolan-3-yl N-[(2S,3R)-3-hydroxy-4-[(4-methox...)
Show SMILES [H][C@@]1(CCOC1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C26H36N2O7S/c1-19(2)16-28(36(31,32)23-11-9-21(33-3)10-12-23)17-25(29)24(15-20-7-5-4-6-8-20)27-26(30)35-22-13-14-34-18-22/h4-12,19,22,24-25,29H,13-18H2,1-3H3,(H,27,30)/t22-,24-,25+/m0/s1
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents


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Article
PubMed
1.5 -50.4n/an/an/an/an/a6.425



University of Illinois at Chicago



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 8: 687-90 (1998)


Article DOI: 10.1016/s0960-894x(98)00098-5
BindingDB Entry DOI: 10.7270/Q2J101DQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9278
PNG
((3S,3aR,7aS)-hexahydro-2H-furo[2,3-b]pyran-3-yl N-...)
Show SMILES [H][C@]1(CO[C@]2([H])OCCC[C@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C29H40N2O8S/c1-20(2)17-31(40(34,35)23-13-11-22(36-3)12-14-23)18-26(32)25(16-21-8-5-4-6-9-21)30-29(33)39-27-19-38-28-24(27)10-7-15-37-28/h4-6,8-9,11-14,20,24-28,32H,7,10,15-19H2,1-3H3,(H,30,33)/t24-,25+,26-,27-,28+/m1/s1
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
2.20 -49.4n/an/an/an/an/a6.425



University of Illinois at Chicago



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 8: 687-90 (1998)


Article DOI: 10.1016/s0960-894x(98)00098-5
BindingDB Entry DOI: 10.7270/Q2J101DQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9269
PNG
((3S)-thiolan-3-yl N-[(2S,3R)-3-hydroxy-4-[(4-metho...)
Show SMILES [H][C@@]1(CCSC1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C26H36N2O6S2/c1-19(2)16-28(36(31,32)23-11-9-21(33-3)10-12-23)17-25(29)24(15-20-7-5-4-6-8-20)27-26(30)34-22-13-14-35-18-22/h4-12,19,22,24-25,29H,13-18H2,1-3H3,(H,27,30)/t22-,24-,25+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.5 -49.1n/an/an/an/an/a6.425



University of Illinois at Chicago



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 8: 687-90 (1998)


Article DOI: 10.1016/s0960-894x(98)00098-5
BindingDB Entry DOI: 10.7270/Q2J101DQ
More data for this
Ligand-Target Pair