BDBM50032805 CHEMBL107495::N-[2-(3-Morpholin-4-yl-ureido)-1-naphthalen-2-ylmethyl-2-oxo-ethyl]-2-[(E)-2-(naphthalene-2-sulfonyl)-vinylamino]-4-phenyl-butyramide
SMILES: O=C(NN1CCOCC1)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccc2ccccc2c1
InChI Key: InChIKey=WHNDEIMPFCLXJS-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin S (Homo sapiens (Human)) | BDBM50032805 (CHEMBL107495 | N-[2-(3-Morpholin-4-yl-ureido)-1-na...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Khepri Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Compound is evaluated for inhibitory potency against cathepsin S | J Med Chem 38: 3193-6 (1995) BindingDB Entry DOI: 10.7270/Q21C1VXJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50032805 (CHEMBL107495 | N-[2-(3-Morpholin-4-yl-ureido)-1-na...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Khepri Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Compound is evaluated for inhibitory potency against cathepsin L | J Med Chem 38: 3193-6 (1995) BindingDB Entry DOI: 10.7270/Q21C1VXJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cruzipain (Trypanosoma cruzi) | BDBM50032805 (CHEMBL107495 | N-[2-(3-Morpholin-4-yl-ureido)-1-na...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Khepri Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Compound is evaluated for inhibitory potency against Cruzaine | J Med Chem 38: 3193-6 (1995) BindingDB Entry DOI: 10.7270/Q21C1VXJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50032805 (CHEMBL107495 | N-[2-(3-Morpholin-4-yl-ureido)-1-na...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Khepri Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Compound is evaluated for inhibitory potency against cathepsin B | J Med Chem 38: 3193-6 (1995) BindingDB Entry DOI: 10.7270/Q21C1VXJ | |||||||||||
More data for this Ligand-Target Pair |