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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human)) | BDBM50379307 (AVICENNOL) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 6.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Sud Curated by ChEMBL | Assay Description Competitive inhibition of human indoleamine 2,3-dioxygenase assessed as conversion of N-formylkynurenine to kynurenine after 2 hrs by spectrophotomet... | J Nat Prod 75: 257-61 (2012) Article DOI: 10.1021/np2004165 BindingDB Entry DOI: 10.7270/Q25B03G4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (Klebsiella pneumoniae) | BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Health Dr. Ricardo Jorge Av. Padre Cruz Curated by ChEMBL | Assay Description Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-72 | Antimicrob Agents Chemother 52: 1806-11 (2008) Article DOI: 10.1128/AAC.01381-07 BindingDB Entry DOI: 10.7270/Q2TM7B93 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria)) | BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Health Dr. Ricardo Jorge Av. Padre Cruz Curated by ChEMBL | Assay Description Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-1 | Antimicrob Agents Chemother 52: 1806-11 (2008) Article DOI: 10.1128/AAC.01381-07 BindingDB Entry DOI: 10.7270/Q2TM7B93 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria)) | BDBM50021959 (CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Health Dr. Ricardo Jorge Av. Padre Cruz Curated by ChEMBL | Assay Description Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-1 | Antimicrob Agents Chemother 52: 1806-11 (2008) Article DOI: 10.1128/AAC.01381-07 BindingDB Entry DOI: 10.7270/Q2TM7B93 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (Klebsiella pneumoniae) | BDBM50021959 (CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Health Dr. Ricardo Jorge Av. Padre Cruz Curated by ChEMBL | Assay Description Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-72 | Antimicrob Agents Chemother 52: 1806-11 (2008) Article DOI: 10.1128/AAC.01381-07 BindingDB Entry DOI: 10.7270/Q2TM7B93 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Macrophage metalloelastase (Homo sapiens (Human)) | BDBM50335314 ((7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](met...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
P. Angeletti SpA (Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of MMP12 | J Med Chem 54: 289-301 (2011) Article DOI: 10.1021/jm1013105 BindingDB Entry DOI: 10.7270/Q2FF3TBP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cruzipain (Trypanosoma cruzi) | BDBM50020696 (CHEMBL3291135) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de S£o Paulo (USP) Curated by ChEMBL | Assay Description Inhibition of Trypanosoma cruzi cruzain expressed in Escherichia coli M15/DH5alpha using Z-Phe-Arg-AMC as substrate by spectrofluorometry | Eur J Med Chem 82: 418-25 (2014) Article DOI: 10.1016/j.ejmech.2014.05.077 BindingDB Entry DOI: 10.7270/Q2W37XVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cruzipain (Trypanosoma cruzi) | BDBM50020697 (CHEMBL3291142) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de S£o Paulo (USP) Curated by ChEMBL | Assay Description Inhibition of Trypanosoma cruzi cruzain expressed in Escherichia coli M15/DH5alpha using Z-Phe-Arg-AMC as substrate by spectrofluorometry | Eur J Med Chem 82: 418-25 (2014) Article DOI: 10.1016/j.ejmech.2014.05.077 BindingDB Entry DOI: 10.7270/Q2W37XVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C alpha type (Homo sapiens (Human)) | BDBM50335314 ((7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](met...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 5.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
P. Angeletti SpA (Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of PKCalpha | J Med Chem 54: 289-301 (2011) Article DOI: 10.1021/jm1013105 BindingDB Entry DOI: 10.7270/Q2FF3TBP | |||||||||||
More data for this Ligand-Target Pair |