BDBM50303436 9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-9H-purine-2-carbonitrile::CHEMBL578159
SMILES: FC(F)Cn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
InChI Key: InChIKey=VMJFQUMKCMNFSX-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 |
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Cruzipain (Trypanosoma cruzi) | BDBM50303436 (9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 13 | 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 (docked) | ||||||||||||
Cathepsin G (Homo sapiens (Human)) | BDBM50303436 (9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.48E+5 | 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 G | 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 | |||||||||||||
Chymase (Homo sapiens (Human)) | BDBM50303436 (9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.91E+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 Chymase | 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 | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50303436 (9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.51E+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 Elastase | 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 (MMP14) (Homo sapiens (Human)) | BDBM50303436 (9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.27E+5 | 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 | |||||||||||||
Caspase-1 (Homo sapiens (Human)) | BDBM50303436 (9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.62E+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 1 | 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 | |||||||||||||
Dipeptidyl peptidase I (Homo sapiens (Human)) | BDBM50303436 (9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.92E+3 | 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 | |||||||||||||
Cathepsin Z (Homo sapiens (Human)) | BDBM50303436 (9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.48E+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 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)) | BDBM50303436 (9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.77E+3 | 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 |