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) | 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) | ||||||||||||
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 | |||||||||||||
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) | 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) | 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) | 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) | 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 | |||||||||||||
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 | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM30369 (piperidinyl glycine derivative, 24f) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.190 | -54.9 | 0.5 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Novartis | Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio... | J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
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 | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM11863 (4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.280 | -54.0 | 0.300 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Novartis | Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio... | J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
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 | |||||||||||||
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 | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM30344 (Cipemastat | Trocade) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 0.530 | -52.4 | 3.5 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Novartis | Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio... | J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3 | |||||||||||
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 | |||||||||||||
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 | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM548 (CHEMBL21188 | N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenyl...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1 | 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) | BDBM1008 (N-(3-{1-[4-hydroxy-2-oxo-6,6-bis(2-phenylethyl)-5,...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1 | -50.9 | 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) | 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 PubMed | <1 | 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 | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM551 (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 | 1 | -50.9 | 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) | BDBM548 (CHEMBL21188 | N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1 | -50.9 | 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) | BDBM1011 (N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propy...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.20 | -50.4 | 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 41: 3467-76 (1998) Article DOI: 10.1021/jm9802158 BindingDB Entry DOI: 10.7270/Q2S180P3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.27 | -50.3 | 1.90 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Novartis | Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio... | J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1005 (N-(3-[1-(6,6-Di-(2-cyclopropylethyl)-5,6-dihydro-4...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.70 | -49.6 | 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 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) | BDBM1002 (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 | 1.80 | -49.4 | 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 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) | BDBM1020 (5-cyano-N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.90 | -49.3 | 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 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) | BDBM1021 (N-(3-[1-(5,6-Dihydro-4-hydroxy-2-oxo-6-phenethyl-6...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2.30 | -48.8 | 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) | BDBM1003 (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 | 2.60 | -48.5 | 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) | BDBM1004 (N-(3-{1-[4-hydroxy-6,6-bis(2-methylpropyl)-2-oxo-5...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3 | -48.2 | 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 | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM547 (CHEMBL20846 | N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3 | -48.2 | 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 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) | BDBM1007 (N-[3-(1-{6-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-o...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3 | -48.2 | 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 | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM547 (CHEMBL20846 | N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenyl...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3 | 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) | BDBM1022 (N-(3-[1-(5,6-Dihydro-4-hydroxy-2-oxo-6-phenethyl-6...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 4.30 | -47.3 | 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 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) | BDBM50070299 (4N-[3-(1-{2-ethyl-4-hydroxy-2-[3-(1-methyl-1H-4-im...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.70 | 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) | BDBM546 (4-fluoro-N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 6 | -46.5 | 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 | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM545 (4-cyano-N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8 | -45.7 | 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 | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM545 (4-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 | 8 | 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) | BDBM545 (4-cyano-N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.20 | -45.7 | 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 | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1019 (4-cyano-N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 12 | -44.8 | 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) | BDBM1012 (N-(3-[1-(5,6-Dihydro-4-hydroxy-2-oxo-6-phenethyl-6...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 13 | -44.6 | 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 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) | BDBM50054629 (3-(Cyclopropyl-phenyl-methyl)-4-hydroxy-6,6-diprop...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn Curated by ChEMBL | Assay Description HIV Protease inhibitory activity | J Med Chem 39: 4630-42 (1996) Article DOI: 10.1021/jm960228q BindingDB Entry DOI: 10.7270/Q247490H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50054610 (4-Hydroxy-6-phenethyl-3-(1-phenyl-allyl)-6-propyl-...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn Curated by ChEMBL | Assay Description HIV Protease inhibitory activity | J Med Chem 39: 4630-42 (1996) Article DOI: 10.1021/jm960228q BindingDB Entry DOI: 10.7270/Q247490H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM544 (N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propy...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 17 | -43.9 | 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) | BDBM50054615 (4-Hydroxy-3-(1-phenyl-propyl)-6,6-dipropyl-5,6-dih...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn Curated by ChEMBL | Assay Description HIV Protease inhibitory activity | J Med Chem 39: 4630-42 (1996) Article DOI: 10.1021/jm960228q BindingDB Entry DOI: 10.7270/Q247490H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1006 (N-[3-(1-{4'-hydroxy-3',6'-dihydrospiro[adamantane-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 23 | -43.2 | 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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