null
SMILES: CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
InChI Key: InChIKey=SZYYBVWPURUFRR-UHFFFAOYSA-N
PDB links: 1 PDB ID matches this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cruzipain (Trypanosoma cruzi) | BDBM50303420 (6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute Curated by ChEMBL | Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis | J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cruzipain (Trypanosoma cruzi) | BDBM50303420 (6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute Curated by ChEMBL | Assay Description Inhibition of Trypanosoma cruzi cruzain after 15 mins | J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dipeptidyl peptidase 1 (Homo sapiens (Human)) | BDBM50303420 (6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 34.7 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute Curated by ChEMBL | Assay Description Inhibition of human Cathepsin C | J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Papain (Carica papaya) | BDBM50303420 (6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 44.7 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute Curated by ChEMBL | Assay Description Inhibition of papaya papain | J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin Z (Homo sapiens (Human)) | BDBM50303420 (6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 933 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute Curated by ChEMBL | Assay Description Inhibition of human Cathepsin X/Z | J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kallikrein-4 (Homo sapiens (Human)) | BDBM50303420 (6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute Curated by ChEMBL | Assay Description Inhibition of human Kallikrein 4 | J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-4 (Homo sapiens (Human)) | BDBM50303420 (6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 3.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute Curated by ChEMBL | Assay Description Inhibition of human Caspase 4 | J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-14 (Homo sapiens (Human)) | BDBM50303420 (6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 7.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute Curated by ChEMBL | Assay Description Inhibition of human MMP14 | J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human)) | BDBM50303420 (6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 7.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute Curated by ChEMBL | Assay Description Inhibition of human TACE | J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteinase K (Engyodontium album) | BDBM50303420 (6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 7.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute Curated by ChEMBL | Assay Description Inhibition of human Proteinase K | J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5 | |||||||||||
More data for this Ligand-Target Pair |