BDBM50121291 2-[2-(2-Biphenyl-4-yl-acetylamino)-3-methylsulfanyl-propionylamino]-5-guanidino-pentanoic acid [1-(1-phenethylcarbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide::CHEMBL415539
SMILES: CSCC(NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCc1ccccc1
InChI Key: InChIKey=BBPDTZWKCLWDOE-SOVNWYSQSA-N
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Procathepsin L (Homo sapiens (Human)) | BDBM50121291 (2-[2-(2-Biphenyl-4-yl-acetylamino)-3-methylsulfany...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Council of Canada Curated by ChEMBL | Assay Description Inhibitory activity against human Cathepsin L | J Med Chem 45: 5321-9 (2002) BindingDB Entry DOI: 10.7270/Q23B5ZH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50121291 (2-[2-(2-Biphenyl-4-yl-acetylamino)-3-methylsulfany...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Council of Canada Curated by ChEMBL | Assay Description Specificity of Cathepsin B inhibition by the compound | J Med Chem 45: 5321-9 (2002) BindingDB Entry DOI: 10.7270/Q23B5ZH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50121291 (2-[2-(2-Biphenyl-4-yl-acetylamino)-3-methylsulfany...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Council of Canada Curated by ChEMBL | Assay Description Specificity of Cathepsin K inhibition by the compound | J Med Chem 45: 5321-9 (2002) BindingDB Entry DOI: 10.7270/Q23B5ZH6 | |||||||||||
More data for this Ligand-Target Pair |