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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16259 (1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 1.10 | -53.2 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16257 (1-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-N-[(1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.80 | -51.9 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16262 (1-N-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-3-N-[(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 27 | -44.9 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM16259 (1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 31 | -44.6 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM16259 (1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 41 | -43.9 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16256 (1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 52.5 | -43.2 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16258 (1-N-benzyl-3-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 136 | -40.8 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 233 | -39.4 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 240 | -39.3 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM16257 (1-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-N-[(1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 245 | -39.3 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16260 (1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 315 | -38.6 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM16256 (1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 340 | -38.4 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM16261 (1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 397 | -38.0 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM16262 (1-N-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-3-N-[(...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 408 | -37.9 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16261 (1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 438 | -37.8 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) | 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 | Article PubMed | 448 | -37.7 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM16256 (1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 483 | -37.5 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM16262 (1-N-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-3-N-[(...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 490 | -37.5 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM16258 (1-N-benzyl-3-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 523 | -37.3 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM16257 (1-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-N-[(1...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 556 | -37.1 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM16261 (1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 633 | -36.8 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16255 (1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 788 | -36.2 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP | |||||||||||
More data for this Ligand-Target Pair |