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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'dorsey' and Initial = 'go'   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM197
PNG
((2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |r|
Show InChI InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39+,40+/m0/s1
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Article
PubMed
0.110n/an/an/an/an/an/an/an/a



Frederick Biomedical Supercomputing Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured against wild-type HIV-1 protease


J Med Chem 41: 1581-97 (1998)


Article DOI: 10.1021/jm980033d
BindingDB Entry DOI: 10.7270/Q27S7MWG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50064201
PNG
(1N-benzyl-2N-[1-benzyl-4-(2-benzylcarbamoyl-3-meth...)
Show SMILES C[C@H]1[C@H]([C@@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1[C@@H](C)[C@H]1C(=O)NCc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H50N4O6/c1-27-35(41(51)45-25-31-19-11-5-12-20-31)37(27)43(53)47-33(23-29-15-7-3-8-16-29)39(49)40(50)34(24-30-17-9-4-10-18-30)48-44(54)38-28(2)36(38)42(52)46-26-32-21-13-6-14-22-32/h3-22,27-28,33-40,49-50H,23-26H2,1-2H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t27-,28-,33-,34-,35+,36+,37+,38+,39+,40+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Frederick Biomedical Supercomputing Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured against wild-type HIV-1 protease


J Med Chem 41: 1581-97 (1998)


Article DOI: 10.1021/jm980033d
BindingDB Entry DOI: 10.7270/Q27S7MWG
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50064202
PNG
(1N-benzyl-2N-[1-benzyl-4-(2-benzylcarbamoylcyclopr...)
Show SMILES O[C@@H]([C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H46N4O6/c47-37(35(21-27-13-5-1-6-14-27)45-41(51)33-23-31(33)39(49)43-25-29-17-9-3-10-18-29)38(48)36(22-28-15-7-2-8-16-28)46-42(52)34-24-32(34)40(50)44-26-30-19-11-4-12-20-30/h1-20,31-38,47-48H,21-26H2,(H,43,49)(H,44,50)(H,45,51)(H,46,52)/t31-,32-,33-,34-,35+,36+,37-,38-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Frederick Biomedical Supercomputing Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured against wild-type HIV-1 protease


J Med Chem 41: 1581-97 (1998)


Article DOI: 10.1021/jm980033d
BindingDB Entry DOI: 10.7270/Q27S7MWG
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50064199
PNG
(1N-benzyl-2N-[1-benzyl-4-(3-benzylcarbamoyl-2,2-di...)
Show SMILES CC1(C)[C@H]([C@@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1[C@H](C(=O)NCc2ccccc2)C1(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C46H54N4O6/c1-45(2)35(41(53)47-27-31-21-13-7-14-22-31)37(45)43(55)49-33(25-29-17-9-5-10-18-29)39(51)40(52)34(26-30-19-11-6-12-20-30)50-44(56)38-36(46(38,3)4)42(54)48-28-32-23-15-8-16-24-32/h5-24,33-40,51-52H,25-28H2,1-4H3,(H,47,53)(H,48,54)(H,49,55)(H,50,56)/t33-,34-,35+,36+,37+,38+,39+,40+/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Frederick Biomedical Supercomputing Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured against wild-type HIV-1 protease


J Med Chem 41: 1581-97 (1998)


Article DOI: 10.1021/jm980033d
BindingDB Entry DOI: 10.7270/Q27S7MWG
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50064203
PNG
(1N-benzyl-2N-[1-benzyl-4-(2-benzylcarbamoyl-3-meth...)
Show SMILES C[C@@H]1[C@H]([C@@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1[C@H](C)[C@H]1C(=O)NCc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H50N4O6/c1-27-35(41(51)45-25-31-19-11-5-12-20-31)37(27)43(53)47-33(23-29-15-7-3-8-16-29)39(49)40(50)34(24-30-17-9-4-10-18-30)48-44(54)38-28(2)36(38)42(52)46-26-32-21-13-6-14-22-32/h3-22,27-28,33-40,49-50H,23-26H2,1-2H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t27-,28-,33+,34+,35-,36-,37-,38-,39-,40-/m1/s1
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0.470n/an/an/an/an/an/an/an/a



Frederick Biomedical Supercomputing Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured against wild-type HIV-1 protease


J Med Chem 41: 1581-97 (1998)


Article DOI: 10.1021/jm980033d
BindingDB Entry DOI: 10.7270/Q27S7MWG
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50064198
PNG
(1N-{1-benzyl-4-[2,2-dimethyl-3-methyl(2-pyridylmet...)
Show SMILES CN(Cc1ccccn1)C(=O)[C@H]1[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H]2[C@H](C(=O)N(C)Cc3ccccn3)C2(C)C)C1(C)C
Show InChI InChI=1S/C46H56N6O6/c1-45(2)35(37(45)43(57)51(5)27-31-21-13-15-23-47-31)41(55)49-33(25-29-17-9-7-10-18-29)39(53)40(54)34(26-30-19-11-8-12-20-30)50-42(56)36-38(46(36,3)4)44(58)52(6)28-32-22-14-16-24-48-32/h7-24,33-40,53-54H,25-28H2,1-6H3,(H,49,55)(H,50,56)/t33-,34-,35+,36+,37+,38+,39+,40+/m0/s1
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80n/an/an/an/an/an/an/an/a



Frederick Biomedical Supercomputing Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured against wild-type HIV-1 protease


J Med Chem 41: 1581-97 (1998)


Article DOI: 10.1021/jm980033d
BindingDB Entry DOI: 10.7270/Q27S7MWG
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM586099
PNG
(BDBM50064200 | TL-3)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
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n/an/a 0.220n/an/an/an/an/an/a



Frederick Biomedical Supercomputing Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured against wild-type HIV-1 protease


J Med Chem 41: 1581-97 (1998)


Article DOI: 10.1021/jm980033d
BindingDB Entry DOI: 10.7270/Q27S7MWG
More data for this
Ligand-Target Pair