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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50448761 (CHEMBL3128021 | US8835445, 22) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.00200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr... | J Med Chem 57: 651-68 (2014) Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50098576 (5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | 0.00480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of Human cathepsin K | J Med Chem 44: 1380-95 (2001) BindingDB Entry DOI: 10.7270/Q2QR4WDC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human)) | BDBM50184069 (CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.00500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry Merck & Co. Curated by ChEMBL | Assay Description Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells | Bioorg Med Chem Lett 16: 2595-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.051 BindingDB Entry DOI: 10.7270/Q2HT2NX8 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50448757 (CHEMBL3128025 | US8835445, 18) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.00500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr... | J Med Chem 57: 651-68 (2014) Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50448759 (CHEMBL3128023 | US8835445, 17) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 0.00700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr... | J Med Chem 57: 651-68 (2014) Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50448758 (CHEMBL3128024) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.00800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr... | J Med Chem 57: 651-68 (2014) Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19770 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.00990 | -62.2 | n/a | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK | Assay Description Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo... | J Med Chem 49: 1597-612 (2006) Article DOI: 10.1021/jm050915u BindingDB Entry DOI: 10.7270/Q2SQ8XP5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
B1 bradykinin receptor (Homo sapiens (Human)) | BDBM50156449 (2-[(R)-7-Chloro-1-(naphthalene-2-sulfonyl)-3-oxo-1...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human Bradykinin receptor B1 over-expressed in transgenic rats was determined by ex vivo receptor occupancy assay | Bioorg Med Chem Lett 14: 6045-8 (2004) Article DOI: 10.1016/j.bmcl.2004.09.074 BindingDB Entry DOI: 10.7270/Q2V1248Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50448743 (CHEMBL3128015) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr... | J Med Chem 57: 651-68 (2014) Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50448740 (CHEMBL3128018) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr... | J Med Chem 57: 651-68 (2014) Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50448744 (CHEMBL3128014 | US8835445, 25 | US8835445, 34) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.0110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr... | J Med Chem 57: 651-68 (2014) Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50448756 (CHEMBL3128026 | US8835445, 21) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr... | J Med Chem 57: 651-68 (2014) Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50448741 (CHEMBL3128017) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr... | J Med Chem 57: 651-68 (2014) Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50351175 (CHEMBL1818127 | US8835445, 30) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, San Diego, CA 92121, United States. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a... | Bioorg Med Chem Lett 21: 5171-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.059 BindingDB Entry DOI: 10.7270/Q27H1JZH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
B1 bradykinin receptor (Homo sapiens (Human)) | BDBM50156446 (CHEMBL359553 | N-{2-[4-(4,5-Dihydro-1H-imidazol-2-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity of the [35S]- radiolabelled compound to rhesus monkey Bradykinin receptor B1 | Bioorg Med Chem Lett 14: 6045-8 (2004) Article DOI: 10.1016/j.bmcl.2004.09.074 BindingDB Entry DOI: 10.7270/Q2V1248Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
B1 bradykinin receptor (Homo sapiens (Human)) | BDBM50156451 (2-[(R)-7-Chloro-1-(naphthalene-2-sulfonyl)-3-oxo-1...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human Bradykinin receptor B1 over-expressed in transgenic rats was determined by ex vivo receptor occupancy assay | Bioorg Med Chem Lett 14: 6045-8 (2004) Article DOI: 10.1016/j.bmcl.2004.09.074 BindingDB Entry DOI: 10.7270/Q2V1248Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
B1 bradykinin receptor (Homo sapiens (Human)) | BDBM50156446 (CHEMBL359553 | N-{2-[4-(4,5-Dihydro-1H-imidazol-2-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity of the [35S]- radiolabelled compound to human Bradykinin receptor B1 over-expressed in transgenic rats was determined by ex vivo rec... | Bioorg Med Chem Lett 14: 6045-8 (2004) Article DOI: 10.1016/j.bmcl.2004.09.074 BindingDB Entry DOI: 10.7270/Q2V1248Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50448753 (CHEMBL3127912 | US8835445, 16) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr... | J Med Chem 57: 651-68 (2014) Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50448738 (CHEMBL3127909) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 0.0240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr... | J Med Chem 57: 651-68 (2014) Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50351173 (CHEMBL1818129 | US8835445, 40) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, San Diego, CA 92121, United States. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a... | Bioorg Med Chem Lett 21: 5171-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.059 BindingDB Entry DOI: 10.7270/Q27H1JZH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50448751 (CHEMBL3127914) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr... | J Med Chem 57: 651-68 (2014) Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50351174 (CHEMBL1818128 | US8835445, 31) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.0260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, San Diego, CA 92121, United States. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a... | Bioorg Med Chem Lett 21: 5171-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.059 BindingDB Entry DOI: 10.7270/Q27H1JZH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50085666 ((2S,3S,4R,5R)-5-{6-(2,2-Diphenyl-ethylamino)-2-[2-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL | Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor. | Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50448745 (CHEMBL3128013 | US8835445, 26) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr... | J Med Chem 57: 651-68 (2014) Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
B1 bradykinin receptor (Homo sapiens (Human)) | BDBM50156455 ((R)-N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenethyl)-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human Bradykinin receptor B1 over-expressed in transgenic rats was determined by ex vivo receptor occupancy assay | Bioorg Med Chem Lett 14: 6045-8 (2004) Article DOI: 10.1016/j.bmcl.2004.09.074 BindingDB Entry DOI: 10.7270/Q2V1248Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM19770 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0400 | -58.8 | n/a | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK | Assay Description Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo... | J Med Chem 49: 1597-612 (2006) Article DOI: 10.1021/jm050915u BindingDB Entry DOI: 10.7270/Q2SQ8XP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19778 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0410 | -58.7 | n/a | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK | Assay Description Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo... | J Med Chem 49: 1597-612 (2006) Article DOI: 10.1021/jm050915u BindingDB Entry DOI: 10.7270/Q2SQ8XP5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50448739 (CHEMBL3128019) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr... | J Med Chem 57: 651-68 (2014) Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50085674 ((2S,3S,4R,5R)-5-[2-(4-Amino-cyclohexylamino)-6-(2,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL | Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor. | Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
B1 bradykinin receptor (Oryctolagus cuniculus) | BDBM50156446 (CHEMBL359553 | N-{2-[4-(4,5-Dihydro-1H-imidazol-2-...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity of the [35S]- radiolabelled compound to rabbit Bradykinin receptor B1 | Bioorg Med Chem Lett 14: 6045-8 (2004) Article DOI: 10.1016/j.bmcl.2004.09.074 BindingDB Entry DOI: 10.7270/Q2V1248Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin L2 (Homo sapiens (Human)) | BDBM19778 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GSK | Assay Description Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo... | J Med Chem 49: 1597-612 (2006) Article DOI: 10.1021/jm050915u BindingDB Entry DOI: 10.7270/Q2SQ8XP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM19778 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0680 | -57.4 | n/a | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK | Assay Description Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo... | J Med Chem 49: 1597-612 (2006) Article DOI: 10.1021/jm050915u BindingDB Entry DOI: 10.7270/Q2SQ8XP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
B1 bradykinin receptor (Homo sapiens (Human)) | BDBM50156450 (2-[(R)-7-Chloro-1-(naphthalene-2-sulfonyl)-3-oxo-1...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human Bradykinin receptor B1 over-expressed in transgenic rats was determined by ex vivo receptor occupancy assay | Bioorg Med Chem Lett 14: 6045-8 (2004) Article DOI: 10.1016/j.bmcl.2004.09.074 BindingDB Entry DOI: 10.7270/Q2V1248Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
B1 bradykinin receptor (Homo sapiens (Human)) | BDBM50156448 (CHEMBL185811 | N-{2-[4-(1H-Imidazol-2-yl)-phenyl]-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human Bradykinin receptor B1 over-expressed in transgenic rats was determined by ex vivo receptor occupancy assay | Bioorg Med Chem Lett 14: 6045-8 (2004) Article DOI: 10.1016/j.bmcl.2004.09.074 BindingDB Entry DOI: 10.7270/Q2V1248Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM18070 (5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr... | J Med Chem 57: 651-68 (2014) Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50085671 ((2S,3S,4R,5R)-5-[6-(2,2-Diphenyl-ethylamino)-2-(2-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL | Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor. | Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM18070 (5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, San Diego, CA 92121, United States. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a... | Bioorg Med Chem Lett 21: 5171-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.059 BindingDB Entry DOI: 10.7270/Q27H1JZH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50448760 (CHEMBL3128022) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | 0.0960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr... | J Med Chem 57: 651-68 (2014) Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nociceptin receptor (Homo sapiens (Human)) | BDBM50262295 (4-[(4R,7S,10S,13R)-10-(3-{[amino(iminiumyl)methyl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Binding affinity to human NOP receptor | J Med Chem 51: 4385-7 (2008) Article DOI: 10.1021/jm800394v BindingDB Entry DOI: 10.7270/Q2B56KN8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50085668 ((2S,3S,4R,5R)-5-[6-Amino-2-((1R,2R)-2-hydroxy-cycl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL | Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor. | Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human)) | BDBM50604026 (CHEMBL5192384) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01670 BindingDB Entry DOI: 10.7270/Q2VH5SX2 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50351182 (CHEMBL1818106) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, San Diego, CA 92121, United States. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a... | Bioorg Med Chem Lett 21: 5171-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.059 BindingDB Entry DOI: 10.7270/Q27H1JZH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50448749 (CHEMBL3127916 | US8835445, 15) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr... | J Med Chem 57: 651-68 (2014) Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19775 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.140 | -55.7 | n/a | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK | Assay Description Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo... | J Med Chem 49: 1597-612 (2006) Article DOI: 10.1021/jm050915u BindingDB Entry DOI: 10.7270/Q2SQ8XP5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human)) | BDBM50604023 (CHEMBL5192977) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB Article PubMed | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01670 BindingDB Entry DOI: 10.7270/Q2VH5SX2 | ||||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50085662 ((2S,3S,4R,5R)-5-[6-(2,2-Diphenyl-ethylamino)-2-((1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL | Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor. | Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50448742 (CHEMBL3128016) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr... | J Med Chem 57: 651-68 (2014) Article DOI: 10.1021/jm401204g BindingDB Entry DOI: 10.7270/Q2PN974G | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.160 | -55.3 | n/a | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK | Assay Description Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo... | J Med Chem 49: 1597-612 (2006) Article DOI: 10.1021/jm050915u BindingDB Entry DOI: 10.7270/Q2SQ8XP5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of Human cathepsin K | J Med Chem 44: 1380-95 (2001) BindingDB Entry DOI: 10.7270/Q2QR4WDC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM50351184 (CHEMBL1818117) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, San Diego, CA 92121, United States. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a... | Bioorg Med Chem Lett 21: 5171-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.059 BindingDB Entry DOI: 10.7270/Q27H1JZH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |
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