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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50577958 (CHEMBL4859512) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01082 BindingDB Entry DOI: 10.7270/Q2NZ8CG1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Rattus norvegicus (rat)) | BDBM50577958 (CHEMBL4859512) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]DPDPE from rat delta opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting metho... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01082 BindingDB Entry DOI: 10.7270/Q2NZ8CG1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50577958 (CHEMBL4859512) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.294 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting method | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01082 BindingDB Entry DOI: 10.7270/Q2NZ8CG1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University Curated by ChEMBL | Assay Description Antagonist activity at A2AR (unknown origin) | Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111936 BindingDB Entry DOI: 10.7270/Q2S75KSD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University Curated by ChEMBL | Assay Description Antagonist activity at A2AR (unknown origin) | Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111936 BindingDB Entry DOI: 10.7270/Q2S75KSD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50293451 (1-Methyl-1-[2-(7-oxo-7H-1-aza-benzo[de]anthracen-9...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University Curated by ChEMBL | Assay Description Inhibition of electric eel AChE by LB plot | Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50506108 (CHEMBL4449252) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01082 BindingDB Entry DOI: 10.7270/Q2NZ8CG1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM320260 (US10174020, Compound 8-1) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SICHUAN HAISCO PHARMACEUTICAL CO., LTD. US Patent | Assay Description The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula... | US Patent US10174020 (2019) BindingDB Entry DOI: 10.7270/Q2BK1FGM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q] (Homo sapiens (Human)) | BDBM26555 (2-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}ethane-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2 | -49.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals | Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... | Bioorg Med Chem Lett 18: 44-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.014 BindingDB Entry DOI: 10.7270/Q2930RH8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM320262 (5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SICHUAN HAISCO PHARMACEUTICAL CO., LTD. US Patent | Assay Description The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula... | US Patent US10174020 (2019) BindingDB Entry DOI: 10.7270/Q2BK1FGM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA gyrase subunit A/B (Escherichia coli (strain K12)) | BDBM24611 (3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(pyridin-3-y...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | <4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA gyrase subunit A/B (Escherichia coli (strain K12)) | BDBM24617 (3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(1-methyl-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | <4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA gyrase subunit A/B (Escherichia coli (strain K12)) | BDBM24616 (1-(6-(4-(Cyclopropylcarbamoyl)-1H-imidazol-1-yl)-4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | <4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA gyrase subunit A/B (Escherichia coli (strain K12)) | BDBM24615 (Benzimidazole urea analogue, 19 | N-cyclopropyl-1-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | <4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA gyrase subunit A/B (Escherichia coli (strain K12)) | BDBM24614 (3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyrimidin-5-yl)-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | <4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA gyrase subunit A/B (Escherichia coli (strain K12)) | BDBM24609 (3-ethyl-1-[7-(pyridin-2-yl)-5-(pyridin-3-yl)-1H-1,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | <4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA gyrase subunit A/B (Escherichia coli (strain K12)) | BDBM24608 (3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyridin-3-yl)-1H...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | <4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA gyrase subunit A/B (Escherichia coli (strain K12)) | BDBM24601 (Benzimidazole urea analogue, 5 | N-cyclopropyl-1-{...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | <4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA gyrase subunit A/B (Escherichia coli (strain K12)) | BDBM24606 (Benzimidazole urea analogue, 10 | methyl 2-[(ethyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | <4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q] (Homo sapiens (Human)) | BDBM26556 (3-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}propane...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 4.5 | -47.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals | Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... | Bioorg Med Chem Lett 18: 44-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.014 BindingDB Entry DOI: 10.7270/Q2930RH8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA gyrase subunit A/B (Escherichia coli (strain K12)) | BDBM24607 (2-[(ethylcarbamoyl)amino]-N-methyl-5-(pyridin-3-yl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q] (Homo sapiens (Human)) | BDBM26549 ((3R)-1-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}py...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 5 | -46.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals | Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... | Bioorg Med Chem Lett 17: 2250-3 (2007) Article DOI: 10.1016/j.bmcl.2007.01.064 BindingDB Entry DOI: 10.7270/Q2DV1H67 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
DNA gyrase subunit A/B (Escherichia coli (strain K12)) | BDBM24610 (1-[5,7-bis(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50577936 (CHEMBL4864911) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01082 BindingDB Entry DOI: 10.7270/Q2NZ8CG1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50000780 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01082 BindingDB Entry DOI: 10.7270/Q2NZ8CG1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50577953 (CHEMBL4876542) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01082 BindingDB Entry DOI: 10.7270/Q2NZ8CG1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting method | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01082 BindingDB Entry DOI: 10.7270/Q2NZ8CG1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA topoisomerase 4 subunit A/B (Escherichia coli (strain K12)) | BDBM24616 (1-(6-(4-(Cyclopropylcarbamoyl)-1H-imidazol-1-yl)-4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA gyrase subunit A/B (Staphylococcus aureus) | BDBM24609 (3-ethyl-1-[7-(pyridin-2-yl)-5-(pyridin-3-yl)-1H-1,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 7 | -47.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50577940 (CHEMBL4848808) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01082 BindingDB Entry DOI: 10.7270/Q2NZ8CG1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50577937 (CHEMBL4860416) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01082 BindingDB Entry DOI: 10.7270/Q2NZ8CG1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q] (Homo sapiens (Human)) | BDBM26553 (2-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}ethane-1-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 8 | -45.7 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals | Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... | Bioorg Med Chem Lett 18: 44-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.014 BindingDB Entry DOI: 10.7270/Q2930RH8 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50577941 (CHEMBL4873458) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01082 BindingDB Entry DOI: 10.7270/Q2NZ8CG1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA gyrase subunit A/B (Staphylococcus aureus) | BDBM24606 (Benzimidazole urea analogue, 10 | methyl 2-[(ethyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | 8 | -47.0 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM320255 (N-(2-carboxyindol-5-yl)-7-(5-chloro-2-(1H-tetrazol...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SICHUAN HAISCO PHARMACEUTICAL CO., LTD. US Patent | Assay Description The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula... | US Patent US10174020 (2019) BindingDB Entry DOI: 10.7270/Q2BK1FGM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50577947 (CHEMBL4875933) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01082 BindingDB Entry DOI: 10.7270/Q2NZ8CG1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA gyrase subunit A/B (Staphylococcus aureus) | BDBM24601 (Benzimidazole urea analogue, 5 | N-cyclopropyl-1-{...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | 10 | -46.4 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA gyrase subunit A/B (Staphylococcus aureus) | BDBM282 ((3R,4S,5R,6R)-5-hydroxy-6-[(2-hydroxy-3-{[4-hydrox...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | 10 | -46.4 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA gyrase subunit A/B (Staphylococcus aureus) | BDBM24615 (Benzimidazole urea analogue, 19 | N-cyclopropyl-1-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | 10 | -46.4 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q] (Homo sapiens (Human)) | BDBM26554 (3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 10 | -45.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals | Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... | Bioorg Med Chem Lett 18: 44-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.014 BindingDB Entry DOI: 10.7270/Q2930RH8 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q] (Homo sapiens (Human)) | BDBM26550 (2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamid...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 10 | -45.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals | Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... | Bioorg Med Chem Lett 18: 44-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.014 BindingDB Entry DOI: 10.7270/Q2930RH8 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q] (Homo sapiens (Human)) | BDBM26550 (2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamid...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 10 | -45.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals | Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... | Bioorg Med Chem Lett 17: 2250-3 (2007) Article DOI: 10.1016/j.bmcl.2007.01.064 BindingDB Entry DOI: 10.7270/Q2DV1H67 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q] (Homo sapiens (Human)) | BDBM26548 (1-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}azetidi...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 11 | -45.0 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals | Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... | Bioorg Med Chem Lett 17: 2250-3 (2007) Article DOI: 10.1016/j.bmcl.2007.01.064 BindingDB Entry DOI: 10.7270/Q2DV1H67 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
DNA topoisomerase 4 subunit A/B (Escherichia coli (strain K12)) | BDBM24617 (3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(1-methyl-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA topoisomerase 4 subunit A/B (Escherichia coli (strain K12)) | BDBM24615 (Benzimidazole urea analogue, 19 | N-cyclopropyl-1-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50577949 (CHEMBL4860580) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01082 BindingDB Entry DOI: 10.7270/Q2NZ8CG1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA gyrase subunit A/B (Staphylococcus aureus) | BDBM24616 (1-(6-(4-(Cyclopropylcarbamoyl)-1H-imidazol-1-yl)-4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | 12 | -46.0 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q] (Homo sapiens (Human)) | BDBM26542 (1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}azetidine...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 13 | -44.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals | Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... | Bioorg Med Chem Lett 17: 2250-3 (2007) Article DOI: 10.1016/j.bmcl.2007.01.064 BindingDB Entry DOI: 10.7270/Q2DV1H67 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
DNA topoisomerase 4 subunit A/B (Escherichia coli (strain K12)) | BDBM24609 (3-ethyl-1-[7-(pyridin-2-yl)-5-(pyridin-3-yl)-1H-1,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM320258 (N-(2-carboxyindol-5-yl)-2-(4-(5-chloro-2-(1H-tetra...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SICHUAN HAISCO PHARMACEUTICAL CO., LTD. US Patent | Assay Description The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula... | US Patent US10174020 (2019) BindingDB Entry DOI: 10.7270/Q2BK1FGM | |||||||||||
More data for this Ligand-Target Pair |
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