BDBM50121543 CHEMBL435440::Morpholine-4-carboxylic acid {1-[(cyano-phenyl-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-amide
SMILES: O=C(N[C@H](C#N)c1ccccc1)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
InChI Key: InChIKey=RPEOGYHALGWHII-VQTJNVASSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin S (Homo sapiens (Human)) | BDBM50121543 (CHEMBL435440 | Morpholine-4-carboxylic acid {1-[(c...) | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus | J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM50121543 (CHEMBL435440 | Morpholine-4-carboxylic acid {1-[(c...) | 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 | n/a | 1 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Equilibrium dissocation constant determined using fluorescence based competitive binding assay towards Cathepsin S | J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7 | |||||||||||
More data for this Ligand-Target Pair |