BDBM50045287 CHEMBL88526::N-[Allylsulfanyl-(1-cyclohexylmethyl-2,4-dihydroxy-hexylcarbamoyl)-methyl]-2-(morpholine-4-sulfonylamino)-3-phenyl-propionamide
SMILES: CC[C@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)SCC=C
InChI Key: InChIKey=YZCWZTFSJLJQLC-UHBCUYOASA-N
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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Cathepsin E (Homo sapiens (Human)) | BDBM50045287![]() (CHEMBL88526 | N-[Allylsulfanyl-(1-cyclohexylmethyl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Binding affinity against human cathepsin E | J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50045287![]() (CHEMBL88526 | N-[Allylsulfanyl-(1-cyclohexylmethyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Binding affinity against human cathepsin D | J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pepsinogen A5 (Homo sapiens (Human)) | BDBM50045287![]() (CHEMBL88526 | N-[Allylsulfanyl-(1-cyclohexylmethyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | 516 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Binding affinity against human pepsin | J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pepsinogen C (Homo sapiens (Human)) | BDBM50045287![]() (CHEMBL88526 | N-[Allylsulfanyl-(1-cyclohexylmethyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Binding affinity against human gastricsin | J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50045287![]() (CHEMBL88526 | N-[Allylsulfanyl-(1-cyclohexylmethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibitory activity against monkey renin | J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J | |||||||||||
More data for this Ligand-Target Pair |