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Found 6 hits Enz. Inhib. hit(s) with Target = 'HIV-1 isolate WT-control pol protein (CNDO control strain)' AND taxid = 12721   
Target
(Institution)
LigandTarget
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
HIV-1 isolate WT-control pol protein (CNDO control strain)


(Human immunodeficiency virus)
BDBM577
PNG
((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Massachusetts Institute of Technology



Assay Description
Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...


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Ligand-Target Pair
HIV-1 isolate WT-control pol protein (CNDO control strain)


(Human immunodeficiency virus)
BDBM8125
PNG
((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1
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n/an/an/an/a 0.25n/an/an/an/a



Massachusetts Institute of Technology



Assay Description
Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...


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Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 isolate WT-control pol protein (CNDO control strain)


(Human immunodeficiency virus)
BDBM104108
PNG
(N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)CC1CCCCC1
Show InChI InChI=1S/C31H38N2O6S/c1-39-27-15-17-28(18-16-27)40(37,38)33(21-24-11-6-3-7-12-24)22-30(35)29(19-23-9-4-2-5-10-23)32-31(36)25-13-8-14-26(34)20-25/h2,4-5,8-10,13-18,20,24,29-30,34-35H,3,6-7,11-12,19,21-22H2,1H3,(H,32,36)/t29-,30+/m0/s1
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n/an/an/an/a 47.3n/an/an/an/a



Massachusetts Institute of Technology



Assay Description
Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...


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More data for this
Ligand-Target Pair
HIV-1 isolate WT-control pol protein (CNDO control strain)


(Human immunodeficiency virus)
BDBM104103
PNG
(N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(cyclohexy...)
Show SMILES O[C@H](CN(CC1CCCCC1)S(=O)(=O)c1ccc2ncsc2c1)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1
Show InChI InChI=1S/C31H35N3O5S2/c35-25-13-7-12-24(17-25)31(37)33-28(16-22-8-3-1-4-9-22)29(36)20-34(19-23-10-5-2-6-11-23)41(38,39)26-14-15-27-30(18-26)40-21-32-27/h1,3-4,7-9,12-15,17-18,21,23,28-29,35-36H,2,5-6,10-11,16,19-20H2,(H,33,37)/t28-,29+/m0/s1
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n/an/an/an/a 63.7n/an/an/an/a



Massachusetts Institute of Technology



Assay Description
Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 isolate WT-control pol protein (CNDO control strain)


(Human immunodeficiency virus)
BDBM104107
PNG
((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(...)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C29H43N3O6S/c1-7-21(4)28(30-22(5)33)29(35)31-26(17-23-11-9-8-10-12-23)27(34)19-32(18-20(2)3)39(36,37)25-15-13-24(38-6)14-16-25/h8-16,20-21,26-28,34H,7,17-19H2,1-6H3,(H,30,33)(H,31,35)/t21-,26-,27+,28-/m0/s1
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n/an/an/an/a 3.5n/an/an/an/a



Massachusetts Institute of Technology



Assay Description
Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 isolate WT-control pol protein (CNDO control strain)


(Human immunodeficiency virus)
BDBM104102
PNG
((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothia...)
Show SMILES CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(C)=O)[C@@H](C)CC)S(=O)(=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C30H42N4O5S2/c1-6-20(3)17-34(41(38,39)24-13-14-25-28(16-24)40-19-31-25)18-27(36)26(15-23-11-9-8-10-12-23)33-30(37)29(21(4)7-2)32-22(5)35/h8-14,16,19-21,26-27,29,36H,6-7,15,17-18H2,1-5H3,(H,32,35)(H,33,37)/t20-,21-,26-,27+,29?/m0/s1
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n/an/an/an/a 2.70n/an/an/an/a



Massachusetts Institute of Technology



Assay Description
Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...


Citation and Details
More data for this
Ligand-Target Pair