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| Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM4690 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet  | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.00000600 | -82.5 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM4689 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0000130 | -80.6 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM4685 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0000150 | -80.2 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair |  3D Structure (crystal) | ||||||||||||
| Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM4688 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.000165 | -74.2 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V] (Human immunodeficiency virus type 1) | BDBM4689 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.000220 | -73.5 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM4687 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.000240 | -73.2 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V] (Human immunodeficiency virus type 1) | BDBM4690 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.000420 | -71.8 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V] (Human immunodeficiency virus type 1) | BDBM4685 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.000750 | -70.4 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dimer of Gag-Pol polyprotein [489-587,L499I,L508Q,K509R,E524D,M525I,S526N,M535I,I539V,I543V,I551V,L552P,A560V,V571A,L579M] (Human immunodeficiency virus type 1) | BDBM4688 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.00120 | -69.2 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dimer of Gag-Pol polyprotein [489-587,L499I,L508Q,K509R,E524D,M525I,S526N,M535I,I539V,I543V,I551V,L552P,A560V,V571A,L579M] (Human immunodeficiency virus type 1) | BDBM4690 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.00170 | -68.3 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dimer of Gag-Pol polyprotein [489-587,I539V] (Human immunodeficiency virus type 1) | BDBM4685 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.00200 | -67.9 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Dimer of Gag-Pol polyprotein [489-587,L499I,L508Q,K509R,E524D,M525I,S526N,M535I,I539V,I543V,I551V,L552P,A560V,V571A,L579M] (Human immunodeficiency virus type 1) | BDBM4689 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.00240 | -67.4 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dimer of Gag-Pol polyprotein [489-587,I539V] (Human immunodeficiency virus type 1) | BDBM4690 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.00260 | -67.2 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dimer of Gag-Pol polyprotein [489-587,L499I,L508Q,K509R,E524D,M525I,S526N,M535I,I539V,I543V,I551V,L552P,A560V,V571A,L579M] (Human immunodeficiency virus type 1) | BDBM4685 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.00340 | -66.6 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Dimer of Gag-Pol polyprotein [489-587,I539V] (Human immunodeficiency virus type 1) | BDBM4689 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.00390 | -66.2 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V] (Human immunodeficiency virus type 1) | BDBM4688 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.00430 | -66.0 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dimer of Gag-Pol polyprotein [489-587,I539V] (Human immunodeficiency virus type 1) | BDBM4688 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.00460 | -65.8 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V] (Human immunodeficiency virus type 1) | BDBM4687 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0250 | -61.5 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dimer of Gag-Pol polyprotein [489-587,I539V] (Human immunodeficiency virus type 1) | BDBM4687 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0270 | -61.3 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dimer of Gag-Pol polyprotein [489-587,L499I,L508Q,K509R,E524D,M525I,S526N,M535I,I539V,I543V,I551V,L552P,A560V,V571A,L579M] (Human immunodeficiency virus type 1) | BDBM4687 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0544 | -59.6 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0570 | -59.5 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Dimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V] (Human immunodeficiency virus type 1) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.30 | -50.1 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dimer of Gag-Pol polyprotein [489-587,I539V] (Human immunodeficiency virus type 1) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 4.90 | -48.2 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Dimer of Gag-Pol polyprotein [489-587,L499I,L508Q,K509R,E524D,M525I,S526N,M535I,I539V,I543V,I551V,L552P,A560V,V571A,L579M] (Human immunodeficiency virus type 1) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 58 | -42.0 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of... | Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
