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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1501![]() (4-Cyano-N-[3-[1-(5,6,7,8,9,10-hexahydro-4-hydroxy-...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.00700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn Curated by ChEMBL | Assay Description Binding affinity of the compound towards HIV protease was determined | J Med Chem 39: 4125-30 (1996) Article DOI: 10.1021/jm960296c BindingDB Entry DOI: 10.7270/Q2KH0MFB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM554![]() (5-cyano-N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-ph...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.00700 | -63.0 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM558![]() (N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethy...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.00800 | -62.7 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50053910![]() (4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-2,5,6,7,8,9-hexah...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn Curated by ChEMBL | Assay Description Binding affinity of the compound towards HIV protease was determined | J Med Chem 39: 4125-30 (1996) Article DOI: 10.1021/jm960296c BindingDB Entry DOI: 10.7270/Q2KH0MFB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM557![]() (N-{3-[(1R)-1-[(6S)-4-hydroxy-2-oxo-6-(2-phenylethy...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.0180 | -60.7 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM560![]() (N-{3-[(1S)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethy...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.0320 | -59.3 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM553![]() (5-cyano-N-{3-[(1R)-1-[(6S)-4-hydroxy-2-oxo-6-(2-ph...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.0400 | -58.8 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50407974![]() (CHEMBL2111883) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn Curated by ChEMBL | Assay Description Binding affinity of the compound towards HIV protease was determined | J Med Chem 39: 4125-30 (1996) Article DOI: 10.1021/jm960296c BindingDB Entry DOI: 10.7270/Q2KH0MFB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM550![]() (N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethy...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.0600 | -57.8 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50053916![]() (4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-5,6,7,8-tetrahydr...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn Curated by ChEMBL | Assay Description Binding affinity of the compound towards HIV protease was determined | J Med Chem 39: 4125-30 (1996) Article DOI: 10.1021/jm960296c BindingDB Entry DOI: 10.7270/Q2KH0MFB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50053912![]() (5-Cyano-pyridine-2-sulfonic acid {3-[1-(4-hydroxy-...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn Curated by ChEMBL | Assay Description Binding affinity of the compound towards HIV protease was determined | J Med Chem 39: 4125-30 (1996) Article DOI: 10.1021/jm960296c BindingDB Entry DOI: 10.7270/Q2KH0MFB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1512![]() (N-[3-(1-{4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9H,10H-cyc...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.0860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 40: 1149-64 (1997) Article DOI: 10.1021/jm960441m BindingDB Entry DOI: 10.7270/Q2736P28 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1018![]() (5-cyano-N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn Curated by ChEMBL | Assay Description Compound was evaluated for in vitro inhibition of human immunodeficiency virus type 1 (HIV-1) Protease | Bioorg Med Chem Lett 8: 1237-42 (1999) BindingDB Entry DOI: 10.7270/Q2K64H7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1018![]() (5-cyano-N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.100 | -56.5 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 41: 3467-76 (1998) Article DOI: 10.1021/jm9802158 BindingDB Entry DOI: 10.7270/Q2S180P3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM556![]() (5-cyano-N-{3-[(1S)-1-[(6R)-4-hydroxy-2-oxo-6-(2-ph...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.100 | -56.5 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50070300![]() (2N-[3-(1-{2-[3-(5-cyano-2-pyridylsulfonamido)pheny...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn Curated by ChEMBL | Assay Description Compound was evaluated for in vitro inhibition of human immunodeficiency virus type 1 (HIV-1) Protease | Bioorg Med Chem Lett 8: 1237-42 (1999) BindingDB Entry DOI: 10.7270/Q2K64H7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1510![]() (N-[3-(1-{4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9H,10H-cyc...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 40: 1149-64 (1997) Article DOI: 10.1021/jm960441m BindingDB Entry DOI: 10.7270/Q2736P28 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM549![]() (N-{3-[(1R)-1-[(6S)-4-hydroxy-2-oxo-6-(2-phenylethy...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.120 | -56.1 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM555![]() (5-cyano-N-{3-[(1S)-1-[(6S)-4-hydroxy-2-oxo-6-(2-ph...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.120 | -56.1 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50053904![]() (4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-2,4a,5,6,7,7a-hex...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.147 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn Curated by ChEMBL | Assay Description Binding affinity of the compound towards HIV protease was determined | J Med Chem 39: 4125-30 (1996) Article DOI: 10.1021/jm960296c BindingDB Entry DOI: 10.7270/Q2KH0MFB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50053906![]() (4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-4a,5,6,7,8,9,10,1...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.175 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn Curated by ChEMBL | Assay Description Binding affinity of the compound towards HIV protease was determined | J Med Chem 39: 4125-30 (1996) Article DOI: 10.1021/jm960296c BindingDB Entry DOI: 10.7270/Q2KH0MFB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50053918![]() (4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-2,4a,5,6,7,8,9,9a...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn Curated by ChEMBL | Assay Description Binding affinity of the compound towards HIV protease was determined | J Med Chem 39: 4125-30 (1996) Article DOI: 10.1021/jm960296c BindingDB Entry DOI: 10.7270/Q2KH0MFB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50053908![]() (4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-4a,5,6,7,8,9,10,1...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn Curated by ChEMBL | Assay Description Binding affinity of the compound towards HIV protease was determined | J Med Chem 39: 4125-30 (1996) Article DOI: 10.1021/jm960296c BindingDB Entry DOI: 10.7270/Q2KH0MFB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat shock protein HSP 90-alpha (Homo sapiens (Human)) | BDBM50401333![]() (CHEMBL1230584) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc. Curated by ChEMBL | Assay Description Binding affinity at recombinant Hsp90alpha incubated for 16 hrs by fluorescence polarization competition assay | J Med Chem 55: 7786-95 (2012) Article DOI: 10.1021/jm300810x BindingDB Entry DOI: 10.7270/Q2V125Z3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amyloid-beta precursor protein (Homo sapiens (Human)) | BDBM50483880![]() (CHEMBL1774642) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Bundang Hospital Curated by ChEMBL | Assay Description Displacement of [3H]PIB from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting | Bioorg Med Chem 19: 2980-90 (2011) Article DOI: 10.1016/j.bmc.2011.03.029 BindingDB Entry DOI: 10.7270/Q21839CG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1492![]() (N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 40: 1149-64 (1997) Article DOI: 10.1021/jm960441m BindingDB Entry DOI: 10.7270/Q2736P28 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1023![]() (5-amino-N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.200 | -54.8 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 41: 3467-76 (1998) Article DOI: 10.1021/jm9802158 BindingDB Entry DOI: 10.7270/Q2S180P3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM559![]() (N-{3-[(1S)-1-[(6S)-4-hydroxy-2-oxo-6-(2-phenylethy...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.220 | -54.6 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50053919![]() (4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-5,6,7,8,9,10,11,1...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn Curated by ChEMBL | Assay Description Binding affinity of the compound towards HIV protease was determined | J Med Chem 39: 4125-30 (1996) Article DOI: 10.1021/jm960296c BindingDB Entry DOI: 10.7270/Q2KH0MFB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM552![]() (N-{3-[(1S)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethy...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.300 | -53.8 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amyloid-beta precursor protein (Homo sapiens (Human)) | BDBM50483881![]() (CHEMBL1774643) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Bundang Hospital Curated by ChEMBL | Assay Description Displacement of [3H]PIB from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting | Bioorg Med Chem 19: 2980-90 (2011) Article DOI: 10.1016/j.bmc.2011.03.029 BindingDB Entry DOI: 10.7270/Q21839CG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1489![]() (N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 40: 1149-64 (1997) Article DOI: 10.1021/jm960441m BindingDB Entry DOI: 10.7270/Q2736P28 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1179![]() (N-[3-[Cyclopropyl[4-hydroxy-2-oxo-6-[1-[(tetrahydr...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.480 | -52.7 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 39: 2400-10 (1996) Article DOI: 10.1021/jm950888f BindingDB Entry DOI: 10.7270/Q20K26RK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1511![]() (N-[3-(1-{4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9H,10H-cyc...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 40: 1149-64 (1997) Article DOI: 10.1021/jm960441m BindingDB Entry DOI: 10.7270/Q2736P28 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1013![]() (N-[3-[1-(5,6-Dihydro-4-hydroxy-2-oxo-6,6-dipropyl-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.520 | -52.5 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 41: 3467-76 (1998) Article DOI: 10.1021/jm9802158 BindingDB Entry DOI: 10.7270/Q2S180P3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1175![]() (N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(pentan-3-yl)-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.540 | -52.4 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 39: 2400-10 (1996) Article DOI: 10.1021/jm950888f BindingDB Entry DOI: 10.7270/Q20K26RK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM29589![]() (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte Ltd. Curated by ChEMBL | Assay Description Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay | J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1455![]() (3-cyano-N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.600 | -52.1 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 40: 1149-64 (1997) Article DOI: 10.1021/jm960441m BindingDB Entry DOI: 10.7270/Q2736P28 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50291064![]() (CHEMBL130184 | Pyridine-2-sulfonic acid (3-{cyclop...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of HIV-1 protease. | Bioorg Med Chem Lett 7: 399-402 (1997) Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1170![]() (N-[3-[Cyclopropyl(4-hydroxy-7-methoxy-2-oxo-2H-1-b...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.700 | -51.7 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 39: 2400-10 (1996) Article DOI: 10.1021/jm950888f BindingDB Entry DOI: 10.7270/Q20K26RK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 5 (Homo sapiens (Human)) | BDBM29589![]() (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte Ltd. Curated by ChEMBL | Assay Description Competitive inhibition of HDAC5 using KI-104 as substrate by fluorescence assay | J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 6 (Homo sapiens (Human)) | BDBM29589![]() (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte Ltd. Curated by ChEMBL | Assay Description Competitive inhibition of HDAC6 using KI-104 as substrate by fluorescence assay | J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1010![]() (N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(2-phenylethyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.710 | -51.7 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 41: 3467-76 (1998) Article DOI: 10.1021/jm9802158 BindingDB Entry DOI: 10.7270/Q2S180P3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50291061![]() (1-Methyl-1H-imidazole-2-sulfonic acid (3-{cyclopro...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article | 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of HIV-1 protease. | Bioorg Med Chem Lett 7: 399-402 (1997) Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1493![]() (N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 40: 1149-64 (1997) Article DOI: 10.1021/jm960441m BindingDB Entry DOI: 10.7270/Q2736P28 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM767![]() (4-Cyano-N-[3-[cyclopropyl(5,6,7,8,9,10-hexahydro-4...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of HIV-1 protease. | Bioorg Med Chem Lett 7: 399-402 (1997) Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM767![]() (4-Cyano-N-[3-[cyclopropyl(5,6,7,8,9,10-hexahydro-4...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 40: 1149-64 (1997) Article DOI: 10.1021/jm960441m BindingDB Entry DOI: 10.7270/Q2736P28 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM767![]() (4-Cyano-N-[3-[cyclopropyl(5,6,7,8,9,10-hexahydro-4...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 0.800 | -51.4 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 38: 4968-71 (1995) Article DOI: 10.1021/jm00026a002 BindingDB Entry DOI: 10.7270/Q2ZP449D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50291055![]() (CHEMBL16636 | Pyridine-2-sulfonic acid {3-[cyclopr...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article | 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of HIV-1 protease. | Bioorg Med Chem Lett 7: 399-402 (1997) Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1014![]() (N-[3-{1-(5,6-Dihydro-4-hydroxy-2-oxo-6,6-dipropyl-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | 0.870 | -51.2 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 41: 3467-76 (1998) Article DOI: 10.1021/jm9802158 BindingDB Entry DOI: 10.7270/Q2S180P3 | |||||||||||
More data for this Ligand-Target Pair |
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