BDBM50300774 CHEMBL570364::N-(3'-((2-cyano-9-(3-hydroxypropyl)-9H-purin-6-ylamino)methyl)biphenyl-3-yl)acetamide
SMILES: CC(=O)Nc1cccc(c1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
InChI Key: InChIKey=XEUCGJSDYZAWTF-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin B (Homo sapiens (Human)) | BDBM50300774 (CHEMBL570364 | N-(3'-((2-cyano-9-(3-hydroxypropyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human liver cathepsin B | J Med Chem 52: 6489-93 (2009) Article DOI: 10.1021/jm900908p BindingDB Entry DOI: 10.7270/Q2K074BP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50300774 (CHEMBL570364 | N-(3'-((2-cyano-9-(3-hydroxypropyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human liver cathepsin L | J Med Chem 52: 6489-93 (2009) Article DOI: 10.1021/jm900908p BindingDB Entry DOI: 10.7270/Q2K074BP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhodesain (Trypanosoma brucei rhodesiense) | BDBM50300774 (CHEMBL570364 | N-(3'-((2-cyano-9-(3-hydroxypropyl)...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain | J Med Chem 52: 6489-93 (2009) Article DOI: 10.1021/jm900908p BindingDB Entry DOI: 10.7270/Q2K074BP | |||||||||||
More data for this Ligand-Target Pair |