Wt: 302.1 BDBM4078 ![]() | Wt: 302.2 BDBM7460 ![]() | Wt: 270.2 BDBM7458 ![]() | Wt: 379.4 BDBM8960 ![]() | Wt: 492.6 BDBM8963 ![]() |
Wt: 146.1 BDBM12342 ![]() | Wt: 144.1 BDBM14322 ![]() | Wt: 144.1 BDBM14320 ![]() | Wt: 193.2 BDBM15788 ![]() | Wt: 265.3 BDBM15789 ![]() |
Wt: 199.2 BDBM15781 ![]() | Wt: 578.7 BDBM16034 ![]() | Wt: 892.9 BDBM16047 ![]() | Wt: 302.2 BDBM26658 ![]() | Wt: 137.1 BDBM29135 ![]() |
Displayed 1 to 15 (of 190 total ) | Next | Last >> |
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Biologia Experimental e Tecnol£gica Curated by ChEMBL | Assay Description Inhibition of active BACE1 (unknown origin) | J Med Chem 58: 5408-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00658 BindingDB Entry DOI: 10.7270/Q2HX1FDQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 1.60 | -12.5 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
University of Illinois at Chicago | 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 44: 2865-8 (2001) Article DOI: 10.1021/jm0101803 BindingDB Entry DOI: 10.7270/Q2BG2M7W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 1.60 | -12.5 | 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 Am Chem Soc 128: 5310-1 (2006) Article DOI: 10.1021/ja058636j BindingDB Entry DOI: 10.7270/Q26W98BN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of BACE1 | J Med Chem 55: 9195-207 (2012) Article DOI: 10.1021/jm3008823 BindingDB Entry DOI: 10.7270/Q23F4QT0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of recombinant beta-secretase 1 | Bioorg Med Chem Lett 22: 5460-5 (2012) Article DOI: 10.1016/j.bmcl.2012.07.043 BindingDB Entry DOI: 10.7270/Q2BV7HQM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leeds Curated by ChEMBL | Assay Description Inhibition of BACE1 | Bioorg Med Chem Lett 19: 6770-4 (2009) Article DOI: 10.1016/j.bmcl.2009.09.103 BindingDB Entry DOI: 10.7270/Q2VT1T2V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL | Assay Description Binding affinity for human brain memapsin 2 beta-Secretase (BACE) | J Med Chem 46: 2074-82 (2003) Article DOI: 10.1021/jm020513b BindingDB Entry DOI: 10.7270/Q2SN09P0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company Curated by ChEMBL | Assay Description Inhibition of human beta-secretase | Bioorg Med Chem Lett 13: 4335-9 (2003) Article DOI: 10.1016/j.bmcl.2003.09.037 BindingDB Entry DOI: 10.7270/Q2513ZR3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL | Assay Description Binding affinity against Beta-secretase | Bioorg Med Chem Lett 14: 4843-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.044 BindingDB Entry DOI: 10.7270/Q2M32WJX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Binding affinity to recombinant memapsin 2 | Bioorg Med Chem Lett 18: 1031-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.028 BindingDB Entry DOI: 10.7270/Q2513XZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of recombinant memapsin 2 | J Med Chem 52: 2163-76 (2009) Article DOI: 10.1021/jm900064c BindingDB Entry DOI: 10.7270/Q2KS6RF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sharjah Curated by ChEMBL | Assay Description Inhibition of human recombinant BACE1 by FRET assay | J Med Chem 52: 6484-8 (2009) Article DOI: 10.1021/jm9008482 BindingDB Entry DOI: 10.7270/Q2765FC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description Inhibition of human recombinant BACE1 ectodomain (1 to 460 amino acids) assessed as inhibition of proteolytic cleavage of Rhodamine-EVNLDAEFK-Quenche... | J Med Chem 54: 3081-5 (2011) Article DOI: 10.1021/jm101568y BindingDB Entry DOI: 10.7270/Q20C4W7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Biologia Experimental e Tecnol£gica Curated by ChEMBL | Assay Description Inhibition of pro-BACE1 (unknown origin) | J Med Chem 58: 5408-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00658 BindingDB Entry DOI: 10.7270/Q2HX1FDQ | |||||||||||
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 GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 233 | -9.41 | 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) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line. | Bioorg Med Chem Lett 14: 239-43 (2003) Article DOI: 10.1016/j.bmcl.2003.09.084 BindingDB Entry DOI: 10.7270/Q2MW2HP3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM7458![]() (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica Curated by ChEMBL | Assay Description Competitive inhibition of human recombinant BChE using panvera peptide as substrate preincubated for 60 mins before substrate addition by FRET assay | J Med Chem 55: 1303-17 (2012) Article DOI: 10.1021/jm201460y BindingDB Entry DOI: 10.7270/Q2M32WS2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM7460![]() (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pukyong National University Curated by ChEMBL | Assay Description Noncompetitive inhibition of human recombinant BACE1 after 60 mins by Dixon plot analysis | Bioorg Med Chem Lett 20: 3211-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.093 BindingDB Entry DOI: 10.7270/Q25B02NZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM14322![]() (2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 2.00E+6 | n/a | n/a | n/a | n/a | 5.0 | 22 |
Astex | Assay Description Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ... | J Med Chem 50: 1124-32 (2007) Article DOI: 10.1021/jm061197u BindingDB Entry DOI: 10.7270/Q2TT4P6T | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM15781![]() (3-N-benzylpyridine-2,3-diamine | 3-Substituted 2-A...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents | MMDB PDB Article PubMed | n/a | n/a | 3.10E+5 | n/a | n/a | n/a | n/a | 5.0 | 22 |
Astex | Assay Description Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ... | J Med Chem 50: 1124-32 (2007) Article DOI: 10.1021/jm061197u BindingDB Entry DOI: 10.7270/Q2TT4P6T | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16034![]() (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Merck Research Laboratories | Assay Description The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ... | J Med Chem 49: 6147-50 (2006) Article DOI: 10.1021/jm060884i BindingDB Entry DOI: 10.7270/Q2VD6WQZ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM14320![]() (1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Astex | Assay Description Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ... | J Med Chem 50: 1116-23 (2007) Article DOI: 10.1021/jm0611962 BindingDB Entry DOI: 10.7270/Q2Q23XHV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM14322![]() (2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Astex | Assay Description Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ... | J Med Chem 50: 1116-23 (2007) Article DOI: 10.1021/jm0611962 BindingDB Entry DOI: 10.7270/Q2Q23XHV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM15781![]() (3-N-benzylpyridine-2,3-diamine | 3-Substituted 2-A...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents | MMDB PDB Article PubMed | n/a | n/a | 3.10E+5 | n/a | n/a | n/a | n/a | 5.0 | 22 |
Astex | Assay Description Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ... | J Med Chem 50: 1116-23 (2007) Article DOI: 10.1021/jm0611962 BindingDB Entry DOI: 10.7270/Q2Q23XHV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM15788![]() (4-[(4-fluorophenyl)methyl]piperidine | CHEMBL12043...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Astex | Assay Description Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ... | J Med Chem 50: 1116-23 (2007) Article DOI: 10.1021/jm0611962 BindingDB Entry DOI: 10.7270/Q2Q23XHV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM15789![]() ((2S)-1-(2,5-dimethylphenoxy)-3-(morpholin-4-yl)pro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | DrugBank MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | 5.0 | 22 |
Astex | Assay Description Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ... | J Med Chem 50: 1116-23 (2007) Article DOI: 10.1021/jm0611962 BindingDB Entry DOI: 10.7270/Q2Q23XHV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16034![]() (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Merck Research Laboratories | Assay Description The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ... | Bioorg Med Chem Lett 16: 641-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.032 BindingDB Entry DOI: 10.7270/Q28S4N5N | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16034![]() (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | 4.5 | 37 |
Merck Research Laboratories | Assay Description For BACE activity assay using recombinant MBP-APP_NFEV substrate, BACE was incubated with purified MBP-APP_NFEV substrate in reaction buffer containi... | J Med Chem 49: 7270-3 (2006) Article DOI: 10.1021/jm061046r BindingDB Entry DOI: 10.7270/Q2513WGP | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
beta-Secretase (BACE-1) (Homo sapiens (human)) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Universite de Montreal at Succursale Centre-Ville | Assay Description Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ... | J Med Chem 48: 5175-90 (2005) Article DOI: 10.1021/jm050142+ BindingDB Entry DOI: 10.7270/Q2WM1BPC | |||||||||||
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 GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Merck Research Laboratories | Assay Description The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ... | J Med Chem 47: 6447-50 (2004) Article DOI: 10.1021/jm049379g BindingDB Entry DOI: 10.7270/Q2XD0ZXT | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences | Assay Description In vitro AChEI activity was performed based on the modified Ellman's methodas previously reported by our group using a 96-well plate reader (BioTek E... | Bioorg Chem 67: 84-94 (2016) Article DOI: 10.1016/j.bioorg.2016.06.001 BindingDB Entry DOI: 10.7270/Q2R21066 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals Curated by ChEMBL | Assay Description Compound was tested for its inhibitory activity against human beta-Secretase (BACE) | J Med Chem 46: 4625-30 (2003) Article DOI: 10.1021/jm030247h BindingDB Entry DOI: 10.7270/Q2PR7VCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM7458![]() (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica Curated by ChEMBL | Assay Description Inhibition of human recombinant BChE using panvera peptide as substrate preincubated for 60 mins before substrate addition by FRET assay | J Med Chem 55: 1303-17 (2012) Article DOI: 10.1021/jm201460y BindingDB Entry DOI: 10.7270/Q2M32WS2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM4078![]() (6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyungpook National University Curated by ChEMBL | Assay Description Inhibition of BACE1 (unknown origin) | Bioorg Med Chem Lett 24: 2945-8 (2014) Article DOI: 10.1016/j.bmcl.2014.04.060 BindingDB Entry DOI: 10.7270/Q2NV9KSW | |||||||||||
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 GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of human recombinant BACE1 by FRET assay | Bioorg Med Chem Lett 18: 1643-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.056 BindingDB Entry DOI: 10.7270/Q2J38S96 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM14320![]() (1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd. Curated by ChEMBL | Assay Description Inhibition of BACE1 | J Med Chem 51: 3661-80 (2008) Article DOI: 10.1021/jm8000373 BindingDB Entry DOI: 10.7270/Q2N58M4H | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of human BACE1 by FRET based peptide cleavage assay | J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS | |||||||||||
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 GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago Curated by ChEMBL | Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells | Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16034![]() (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago Curated by ChEMBL | Assay Description Inhibition of BACE1 | Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of human BACE1 by FRET | J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16047![]() ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of human recombinant C-terminal histidine-tagged BACE1 expressed in baculovirus-infected insect cells by FRET assay | Bioorg Med Chem 17: 1600-13 (2009) Article DOI: 10.1016/j.bmc.2008.12.067 BindingDB Entry DOI: 10.7270/Q24J0F0R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM7460![]() (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pukyong National University Curated by ChEMBL | Assay Description Inhibition of human recombinant BACE1 after 60 mins by FRET assay | Bioorg Med Chem Lett 20: 3211-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.093 BindingDB Entry DOI: 10.7270/Q25B02NZ | |||||||||||
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 GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science and Technology Curated by ChEMBL | Assay Description Inhibition of human BACE1 preincubated for 30 min measured after 30 mins | Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16034![]() (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science and Technology Curated by ChEMBL | Assay Description Inhibition of human BACE1 in HEK293T cells transfected with APP695 after 20 to 24 hrs by Western blot analysis | Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16034![]() (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science and Technology Curated by ChEMBL | Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o... | Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16034![]() (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Applied Science University Curated by ChEMBL | Assay Description Inhibition of BACE1 after 2 hrs by FRET assay | Bioorg Med Chem 18: 3088-115 (2010) Article DOI: 10.1016/j.bmc.2010.03.043 BindingDB Entry DOI: 10.7270/Q2ZG6SFR | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16034![]() (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hawaii at Manoa Curated by ChEMBL | Assay Description Inhibition of BACE1 mediated cleavage of amyloid precursor protein by chemiluminescence assay | J Nat Prod 73: 1188-91 (2010) Article DOI: 10.1021/np100203x BindingDB Entry DOI: 10.7270/Q2M32VXF | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM26658![]() (2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gyeongsang National University Curated by ChEMBL | Assay Description Inhibition of human recombinant BACE-1 expressed in HEK293 cells assessed as inhibition of amyloid precursor protein cleavage into amyloid beta after... | Bioorg Med Chem Lett 21: 2945-8 (2011) Article DOI: 10.1016/j.bmcl.2011.03.060 BindingDB Entry DOI: 10.7270/Q2QR4XF7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM8963![]() (CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Molekulare Physiologie Curated by ChEMBL | Assay Description Inhibition of BACE1 expressed in baculovirus assessed as inhibition of amyloid beta-42 production after 60 mins by spectrofluorometric assay | Eur J Med Chem 46: 4336-43 (2011) Article DOI: 10.1016/j.ejmech.2011.07.004 BindingDB Entry DOI: 10.7270/Q2NP24TK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM14322![]() (2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 9.00E+5 | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Binding affinity to BACE1 after 90 seconds by surface plasmon resonance assay | J Med Chem 54: 5836-57 (2011) Article DOI: 10.1021/jm200544q BindingDB Entry DOI: 10.7270/Q23J3DBN | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |
Displayed 1 to 50 (of 77 total ) | Next | Last >> |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
BDBM7460![]() (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) | Serine/threonine-protein kinase PIM (Homo sapiens (human)) | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | GoogleScholar PDB | -9.78 | -0.257 | -9.58 | 7.59 | 7.5 | 10 | |
Oxford University | J Med Chem 48: 7604-14 (2005) | |||||||||
Transcriptional Regulator TtgR (Pseudomonas putida) | BDBM7460![]() (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | -8.08 | 0.840 | -8.92 | 5.83 | 7 | 30 | |
Estacion Experimental del Zaidin | J Biol Chem 281: 7102-9 (2006) | |||||||||
Transcriptional Regulator TtgR (Pseudomonas putida) | BDBM7460![]() (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | -7.40 | -2.66 | -4.74 | 5.34 | 7 | 30 | |
Estacion Experimental del Zaidin | J Biol Chem 281: 7102-9 (2006) | |||||||||
Transcriptional Regulator TtgR-DNA (Pseudomonas putida) | BDBM7460![]() (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | -7.94 | -2.82 | -5.12 | 5.73 | 7 | 30 | |
Estacion Experimental del Zaidin | J Biol Chem 281: 7102-9 (2006) | |||||||||
Transcriptional Regulator TtgR (Pseudomonas putida) | BDBM7458![]() (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | -6.66 | -5.38 | -1.28 | 4.81 | 7 | 30 | |
Estacion Experimental del Zaidin | J Biol Chem 281: 7102-9 (2006) |