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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease AE (Human immunodeficiency virus type 1) | BDBM578![]() ((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.0190 | -63.7 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant (A71V) (Human immunodeficiency virus type 1) | BDBM580![]() ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | <0.0210 | <-63.4 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM580![]() ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | 0.0210 | -63.4 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM580![]() ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet ![]() | MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | 0.0210 | -63.4 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant (D30N/A71V) (Human immunodeficiency virus type 1) | BDBM580![]() ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | <0.0210 | <-63.4 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant (M36I/A71V) (Human immunodeficiency virus type 1) | BDBM580![]() ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | 0.0300 | -62.5 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant V6 (Human immunodeficiency virus type 1) | BDBM580![]() ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | 0.0400 | -61.7 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease B Subtype (Human immunodeficiency virus type 1) | BDBM578![]() ((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.0500 | -61.2 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant (D30N) (Human immunodeficiency virus type 1) | BDBM580![]() ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | 0.0830 | -59.9 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50045281![]() (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Binding affinity against human cathepsin D | J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin E (Homo sapiens (Human)) | BDBM50045284![]() (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) | PDB GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Binding affinity against human cathepsin E | J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease Mutant (D30N/M36I) (Human immunodeficiency virus type 1) | BDBM580![]() ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | 0.110 | -59.1 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant (M36I) (Human immunodeficiency virus type 1) | BDBM580![]() ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | 0.110 | -59.1 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant (M36I) (Human immunodeficiency virus type 1) | BDBM520![]() (1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.150 | -58.3 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease B Subtype (Human immunodeficiency virus type 1) | BDBM577![]() ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.170 | -58.0 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant V6(54) (Human immunodeficiency virus type 1) | BDBM580![]() ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | 0.190 | -57.7 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease B Subtype Mutant (V82F) (Human immunodeficiency virus type 1) | BDBM578![]() ((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.200 | -57.6 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease AE (Human immunodeficiency virus type 1) | BDBM520![]() (1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.200 | -57.6 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant (A71V) (Human immunodeficiency virus type 1) | BDBM518![]() ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.220 | -57.3 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant (D30N) (Human immunodeficiency virus type 1) | BDBM520![]() (1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.230 | -57.2 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease AE (Human immunodeficiency virus type 1) | BDBM13934![]() (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.240 | -57.1 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant (D30N/M36I/A71V) (Human immunodeficiency virus type 1) | BDBM580![]() ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | 0.320 | -56.4 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant (A71V) (Human immunodeficiency virus type 1) | BDBM579![]() ((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.370 | -56.0 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant (M36I/A71V) (Human immunodeficiency virus type 1) | BDBM579![]() ((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.380 | -55.9 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Plasmepsin 2 (Plasmodium falciparum) | BDBM50323737![]() (CHEMBL1213687 | N-((2S)-1-((2S)-6-amino-1-(4-(6-me...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | Article PubMed | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum PLM2 using Lys-Glu-Phe-Val-Phe-NPhe-Ala-Leu-Lys as substrate by spectrophotometry | Bioorg Med Chem Lett 22: 5915-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.069 BindingDB Entry DOI: 10.7270/Q2M046HX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50045290![]() (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | PubMed | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Binding affinity against human cathepsin D | J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease AE (Human immunodeficiency virus type 1) | BDBM577![]() ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.400 | -55.8 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease AE Mutant (V82F) (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease B Subtype (Human immunodeficiency virus type 1) | BDBM13934![]() (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.480 | -55.3 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease AE Mutant (V82F) (Human immunodeficiency virus type 1) | BDBM578![]() ((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant V6(46) (Human immunodeficiency virus type 1) | BDBM580![]() ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | MMDB PC cid PC sid PDB UniChem | Article PubMed | 0.5 | -55.2 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease Mutant (A71V) (Human immunodeficiency virus type 1) | BDBM520![]() (1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.5 | -55.2 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Plasmepsin 2 (Plasmodium falciparum) | BDBM50209559![]() ((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL MMDB PC cid PC sid PDB UniChem | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 expressed in Escherichia coli BL21 (DE3) by fluorometric assay | Bioorg Med Chem 17: 5933-49 (2009) Article DOI: 10.1016/j.bmc.2009.06.065 BindingDB Entry DOI: 10.7270/Q2S46S0X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin E (Homo sapiens (Human)) | BDBM50008139![]() (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) | PDB GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Binding affinity against human cathepsin E | J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin E (Homo sapiens (Human)) | BDBM50045290![]() (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) | PDB GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Binding affinity against human cathepsin E | J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease AE-P Mutant (F82V) (Human immunodeficiency virus type 1) | BDBM578![]() ((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease B Subtype Mutant (V82F) (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.520 | -55.1 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant V6(84) (Human immunodeficiency virus type 1) | BDBM580![]() ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida College of Medicine | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease B Subtype Mutant (V82F) (Human immunodeficiency virus type 1) | BDBM13934![]() (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.560 | -54.9 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease AE Mutant (V82F) (Human immunodeficiency virus type 1) | BDBM13934![]() (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM579![]() ((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.580 | -54.8 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant (M36I) (Human immunodeficiency virus type 1) | BDBM579![]() ((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.600 | -54.8 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50045285![]() (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Binding affinity against human cathepsin D | J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease Mutant (M36I/A71V) (Human immunodeficiency virus type 1) | BDBM518![]() ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.630 | -54.6 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM520![]() (1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.700 | -54.4 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease B Subtype (Human immunodeficiency virus type 1) | BDBM520![]() (1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.700 | -54.4 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease AE-P (Human immunodeficiency virus type 1) | BDBM13934![]() (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM520![]() (1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.700 | -54.4 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50045291![]() (CHEMBL88340 | i2-[2-(Morpholine-4-sulfonylamino)-3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Binding affinity against human cathepsin D | J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease Mutant (D30N) (Human immunodeficiency virus type 1) | BDBM579![]() ((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 0.900 | -53.7 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |
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