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) | BDBM4696 ((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 | 0.0000140 | -80.4 | 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... | Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM4685 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0000150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of HIV1 protease | Antimicrob Agents Chemother 51: 3147-54 (2007) Article DOI: 10.1128/aac.00401-07 BindingDB Entry DOI: 10.7270/Q23R0WPV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
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) | BDBM4699 ((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 | 0.0000480 | -77.3 | 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... | Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM4698 ((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 | 0.0000540 | -77.0 | 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... | Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0000570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of HIV1 protease by fluorescent peptide substrate based assay | Antimicrob Agents Chemother 51: 3147-54 (2007) Article DOI: 10.1128/aac.00401-07 BindingDB Entry DOI: 10.7270/Q23R0WPV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM4700 ((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 | 0.0000580 | -76.8 | 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... | Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM4691 ((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 | 0.0000610 | -76.7 | 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... | Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM4697 ((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 | 0.000120 | -75.0 | 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... | Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM4695 ((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 | 0.000160 | -74.3 | 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... | Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
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] (Human immunodeficiency virus type 1) | BDBM4693 ((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 | 0.000210 | -73.6 | 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... | Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57 | |||||||||||
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] (Human immunodeficiency virus type 1) | BDBM4692 ((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 | 0.000260 | -73.0 | 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... | Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57 | |||||||||||
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] (Human immunodeficiency virus type 1) | BDBM4694 ((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 | 0.000520 | -71.3 | 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... | Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57 | |||||||||||
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 | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.00147 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of HIV1 protease | Antimicrob Agents Chemother 51: 3147-54 (2007) Article DOI: 10.1128/aac.00401-07 BindingDB Entry DOI: 10.7270/Q23R0WPV | |||||||||||
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) | 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 | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50479982 (Aptivus | CHEBI:63628 | Tipranavir | U-140690 | US...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB Article PubMed | 0.00800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of HIV1 protease by fluorescent peptide substrate based assay | Antimicrob Agents Chemother 51: 3147-54 (2007) Article DOI: 10.1128/aac.00401-07 BindingDB Entry DOI: 10.7270/Q23R0WPV | |||||||||||
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) | 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 | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of HIV1 protease | Antimicrob Agents Chemother 51: 3147-54 (2007) Article DOI: 10.1128/aac.00401-07 BindingDB Entry DOI: 10.7270/Q23R0WPV | |||||||||||
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) | 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) | ||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19783 ((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.0720 | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK | Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut... | Bioorg Med Chem Lett 17: 22-7 (2007) Article DOI: 10.1016/j.bmcl.2006.10.102 BindingDB Entry DOI: 10.7270/Q2NZ85XC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM19783 ((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK | Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut... | Bioorg Med Chem Lett 17: 22-7 (2007) Article DOI: 10.1016/j.bmcl.2006.10.102 BindingDB Entry DOI: 10.7270/Q2NZ85XC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50179446 ((S)-4,4-dimethyl-2-oxo-1-((4-(trifluoromethyl)phen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of recombinant human cathepsin K by fluorescence assay | Bioorg Med Chem Lett 16: 1735-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.101 BindingDB Entry DOI: 10.7270/Q23J3CJX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50179439 ((S)-1-(benzo[d]thiazole-2-carbonyl)-4,4-dimethyl-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.810 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of recombinant human cathepsin K by fluorescence assay | Bioorg Med Chem Lett 16: 1735-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.101 BindingDB Entry DOI: 10.7270/Q23J3CJX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50179454 ((S)-4,4-dimethyl-2-oxo-1-(2-(trifluoromethyl)-1,3,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of recombinant human cathepsin K by fluorescence assay | Bioorg Med Chem Lett 16: 1735-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.101 BindingDB Entry DOI: 10.7270/Q23J3CJX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19793 ((2S)-1-(5,6-dichloro-1H-1,3-benzodiazol-1-yl)-3,3-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK | Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut... | Bioorg Med Chem Lett 17: 22-7 (2007) Article DOI: 10.1016/j.bmcl.2006.10.102 BindingDB Entry DOI: 10.7270/Q2NZ85XC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50179458 ((S)-1-(2-naphthoyl)-4,4-dimethyl-2-oxopyrrolidin-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of recombinant human cathepsin K by fluorescence assay | Bioorg Med Chem Lett 16: 1735-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.101 BindingDB Entry DOI: 10.7270/Q23J3CJX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50179438 ((S)-1-(1H-indole-5-carbonyl)-4,4-dimethyl-2-oxopyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of recombinant human cathepsin K by fluorescence assay | Bioorg Med Chem Lett 16: 1735-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.101 BindingDB Entry DOI: 10.7270/Q23J3CJX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50179437 ((S)-4,4-dimethyl-2-oxo-3-[(S)-1-((R)-1-phenyl-ethy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of recombinant human cathepsin K by fluorescence assay | Bioorg Med Chem Lett 16: 1735-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.101 BindingDB Entry DOI: 10.7270/Q23J3CJX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50179445 ((S)-4,4-dimethyl-2-oxo-1-((4-(trifluoromethyl)phen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of recombinant human cathepsin K by fluorescence assay | Bioorg Med Chem Lett 16: 1735-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.101 BindingDB Entry DOI: 10.7270/Q23J3CJX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19796 ((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK | Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut... | Bioorg Med Chem Lett 17: 22-7 (2007) Article DOI: 10.1016/j.bmcl.2006.10.102 BindingDB Entry DOI: 10.7270/Q2NZ85XC | |||||||||||
More data for this Ligand-Target Pair |
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