BDBM33453 (3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-methanone::(3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone::MLS000528783::SMR000121258::cid_2938648
SMILES: COc1ccc(cc1)C(=O)n1cnnc1N
InChI Key: InChIKey=GEWIUKZEFCKWDD-UHFFFAOYSA-N
Data: 9 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Matriptase (Homo sapiens (Human)) | BDBM33453 ((3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-m...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | 8.0 | n/a |
Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC) Curated by ChEMBL | Assay Description Inhibition of human matriptase measured after 15 mins at pH 8 by fluorescence assay | Bioorg Med Chem Lett 23: 4547-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.039 BindingDB Entry DOI: 10.7270/Q23B61JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kallikrein 14 (Homo sapiens (Human)) | BDBM33453 ((3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-m...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC) Curated by ChEMBL | Assay Description Inhibition of human kallikrein 14 measured after 15 mins at pH 8 by fluorescence assay | Bioorg Med Chem Lett 23: 4547-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.039 BindingDB Entry DOI: 10.7270/Q23B61JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kallikrein 5 (Homo sapiens (Human)) | BDBM33453 ((3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-m...) | PDB MMDB KEGG B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC) Curated by ChEMBL | Assay Description Inhibition of human kallikrein 5 measured after 15 mins at pH 8 by fluorescence assay | Bioorg Med Chem Lett 23: 4547-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.039 BindingDB Entry DOI: 10.7270/Q23B61JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kallikrein 7 (Homo sapiens (Human)) | BDBM33453 ((3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC) Curated by ChEMBL | Assay Description Inhibition of human kallikrein 7 measured after 15 mins at pH 8 by fluorescence assay | Bioorg Med Chem Lett 23: 4547-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.039 BindingDB Entry DOI: 10.7270/Q23B61JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM33453 ((3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q20K2704 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Factor XIIa (Homo sapiens (Human)) | BDBM33453 ((3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-m...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21G0JQS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
M18 aspartyl aminopeptidase (Plasmodium falciparum 3D7) | BDBM33453 ((3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-m...) | PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24B2ZQ2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kallikrein 5 (Homo sapiens (Human)) | BDBM33453 ((3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-m...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GH9GC8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Factor XIIa (Homo sapiens (Human)) | BDBM33453 ((3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-m...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.59E+3 | n/a | n/a | n/a | n/a | 7.4 | 23 |
PCMD Curated by PubChem BioAssay | Assay Description HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PV6HQB | |||||||||||
More data for this Ligand-Target Pair |