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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pancreatic alpha-amylase (Homo sapiens (Human)) | BDBM163646 (Montbretin A (MbA)) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 8.10 | -47.0 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
University of British Columbia | Assay Description Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor... | Nat Chem Biol 11: 691-6 (2015) Article DOI: 10.1038/nchembio.1865 BindingDB Entry DOI: 10.7270/Q2KD1WP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pancreatic alpha-amylase (Homo sapiens (Human)) | BDBM163647 (MbA-G (1)) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | 9.10 | -46.7 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
University of British Columbia | Assay Description Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor... | Nat Chem Biol 11: 691-6 (2015) Article DOI: 10.1038/nchembio.1865 BindingDB Entry DOI: 10.7270/Q2KD1WP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50201794 (CHEMBL3897445) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of British Columbia Curated by ChEMBL | Assay Description Competitive inhibition of human recombinant cathepsin K using Z-FR-MCA fluorogenic substrate by Handerson plot analysis | J Nat Prod 79: 1962-70 (2016) Article DOI: 10.1021/acs.jnatprod.6b00215 BindingDB Entry DOI: 10.7270/Q2F76FHF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pancreatic alpha-amylase (Homo sapiens (Human)) | BDBM163648 (MbA-R (2)) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | 21.3 | -44.5 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
University of British Columbia | Assay Description Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor... | Nat Chem Biol 11: 691-6 (2015) Article DOI: 10.1038/nchembio.1865 BindingDB Entry DOI: 10.7270/Q2KD1WP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50201793 (CHEMBL3899320) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of British Columbia Curated by ChEMBL | Assay Description Competitive inhibition of human recombinant cathepsin K using Z-FR-MCA fluorogenic substrate by Handerson plot analysis | J Nat Prod 79: 1962-70 (2016) Article DOI: 10.1021/acs.jnatprod.6b00215 BindingDB Entry DOI: 10.7270/Q2F76FHF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pancreatic alpha-amylase (Homo sapiens (Human)) | BDBM163649 (MbA-RX (3)) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | 42.4 | -42.8 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
University of British Columbia | Assay Description Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor... | Nat Chem Biol 11: 691-6 (2015) Article DOI: 10.1038/nchembio.1865 BindingDB Entry DOI: 10.7270/Q2KD1WP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pancreatic alpha-amylase (Homo sapiens (Human)) | BDBM163650 (MbA-GR (4)) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | 79.3 | -41.2 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
University of British Columbia | Assay Description Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor... | Nat Chem Biol 11: 691-6 (2015) Article DOI: 10.1038/nchembio.1865 BindingDB Entry DOI: 10.7270/Q2KD1WP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pancreatic alpha-amylase (Homo sapiens (Human)) | BDBM163651 (MbA-GRX (5) | mini-MbA) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 93.3 | -40.8 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
University of British Columbia | Assay Description Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor... | Nat Chem Biol 11: 691-6 (2015) Article DOI: 10.1038/nchembio.1865 BindingDB Entry DOI: 10.7270/Q2KD1WP4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50201793 (CHEMBL3899320) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of British Columbia Curated by ChEMBL | Assay Description Competitive inhibition of human recombinant cathepsin K using Z-FR-MCA fluorogenic substrate by Dixon plot analysis | J Nat Prod 79: 1962-70 (2016) Article DOI: 10.1021/acs.jnatprod.6b00215 BindingDB Entry DOI: 10.7270/Q2F76FHF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50201793 (CHEMBL3899320) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of British Columbia Curated by ChEMBL | Assay Description Competitive inhibition of human recombinant cathepsin K using Z-FR-MCA fluorogenic substrate by Dixon plot analysis | J Nat Prod 79: 1962-70 (2016) Article DOI: 10.1021/acs.jnatprod.6b00215 BindingDB Entry DOI: 10.7270/Q2F76FHF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50201795 (CHEMBL3972383) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 163 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of British Columbia Curated by ChEMBL | Assay Description Competitive inhibition of human recombinant cathepsin K using Z-FR-MCA fluorogenic substrate by Dixon plot analysis | J Nat Prod 79: 1962-70 (2016) Article DOI: 10.1021/acs.jnatprod.6b00215 BindingDB Entry DOI: 10.7270/Q2F76FHF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50201792 (CHEMBL3942776) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 393 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of British Columbia Curated by ChEMBL | Assay Description Competitive inhibition of human recombinant cathepsin K using Z-FR-MCA fluorogenic substrate by Dixon plot analysis | J Nat Prod 79: 1962-70 (2016) Article DOI: 10.1021/acs.jnatprod.6b00215 BindingDB Entry DOI: 10.7270/Q2F76FHF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pancreatic alpha-amylase (Homo sapiens (Human)) | BDBM163652 (MbA-C (6)) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | 730 | -35.6 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
University of British Columbia | Assay Description Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor... | Nat Chem Biol 11: 691-6 (2015) Article DOI: 10.1038/nchembio.1865 BindingDB Entry DOI: 10.7270/Q2KD1WP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pancreatic alpha-amylase (Homo sapiens (Human)) | BDBM163653 (MbA-CG (7)) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | 2.24E+3 | -32.8 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
University of British Columbia | Assay Description Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor... | Nat Chem Biol 11: 691-6 (2015) Article DOI: 10.1038/nchembio.1865 BindingDB Entry DOI: 10.7270/Q2KD1WP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pancreatic alpha-amylase (Homo sapiens (Human)) | BDBM163656 (3-O-(6-(4-(Caffeamidomethyl)-triazolyl)hexyl)querc...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.39E+4 | -28.2 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
University of British Columbia | Assay Description Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor... | Nat Chem Biol 11: 691-6 (2015) Article DOI: 10.1038/nchembio.1865 BindingDB Entry DOI: 10.7270/Q2KD1WP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pancreatic alpha-amylase (Homo sapiens (Human)) | BDBM163654 (MbA-CR (8)) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | 4.68E+4 | -25.1 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
University of British Columbia | Assay Description Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor... | Nat Chem Biol 11: 691-6 (2015) Article DOI: 10.1038/nchembio.1865 BindingDB Entry DOI: 10.7270/Q2KD1WP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pancreatic alpha-amylase (Homo sapiens (Human)) | BDBM163655 (MbA-CGR (9)) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | 1.28E+5 | -22.6 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
University of British Columbia | Assay Description Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor... | Nat Chem Biol 11: 691-6 (2015) Article DOI: 10.1038/nchembio.1865 BindingDB Entry DOI: 10.7270/Q2KD1WP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosinase (Homo sapiens (Human)) | BDBM50269559 (2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Hiroshima University Curated by ChEMBL | Assay Description Inhibition of tyrosinase (unknown origin) using L-dihydroxyphenylalanine as substrate preincubated for 30 mins followed by substrate addition measure... | J Nat Prod 80: 3172-3178 (2017) Article DOI: 10.1021/acs.jnatprod.7b00453 BindingDB Entry DOI: 10.7270/Q2VD71Z4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosinase (Homo sapiens (Human)) | BDBM26194 (4-Hydroxybenzoate, III | 4-hydroxybenzoic acid | C...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 9.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hiroshima University Curated by ChEMBL | Assay Description Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells | J Nat Prod 80: 3172-3178 (2017) Article DOI: 10.1021/acs.jnatprod.7b00453 BindingDB Entry DOI: 10.7270/Q2VD71Z4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosinase (Homo sapiens (Human)) | BDBM50031467 (5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hiroshima University Curated by ChEMBL | Assay Description Inhibition of tyrosinase (unknown origin) using L-dihydroxyphenylalanine as substrate preincubated for 30 mins followed by substrate addition measure... | J Nat Prod 80: 3172-3178 (2017) Article DOI: 10.1021/acs.jnatprod.7b00453 BindingDB Entry DOI: 10.7270/Q2VD71Z4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosinase (Homo sapiens (Human)) | BDBM50279686 (CHEMBL4159961) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hiroshima University Curated by ChEMBL | Assay Description Inhibition of tyrosinase (unknown origin) using L-dihydroxyphenylalanine as substrate preincubated for 30 mins followed by substrate addition measure... | J Nat Prod 80: 3172-3178 (2017) Article DOI: 10.1021/acs.jnatprod.7b00453 BindingDB Entry DOI: 10.7270/Q2VD71Z4 | |||||||||||
More data for this Ligand-Target Pair |