BDBM50255950 4-(Butane-1-sulfonylamino)-N-[1-(2S-ethyl-4-oxo-tetrahydro-furan-3S-ylcarbamoyl)-2S-(1-methyl-cyclopentyl)-ethyl]-benzamide::CHEMBL519115
SMILES: CCCCS(=O)(=O)Nc1ccc(cc1)C(=O)N[C@@H](CC1(C)CCCC1)C(=O)N[C@H]1[C@H](CC)OCC1=O
InChI Key: InChIKey=RPTVKXZZMRFLSY-ACIOBRDBSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin S (Homo sapiens (Human)) | BDBM50255950 (4-(Butane-1-sulfonylamino)-N-[1-(2S-ethyl-4-oxo-te...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay | Bioorg Med Chem 17: 1307-24 (2009) Article DOI: 10.1016/j.bmc.2008.12.020 BindingDB Entry DOI: 10.7270/Q2GX4BD9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50255950 (4-(Butane-1-sulfonylamino)-N-[1-(2S-ethyl-4-oxo-te...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay | Bioorg Med Chem 17: 1307-24 (2009) Article DOI: 10.1016/j.bmc.2008.12.020 BindingDB Entry DOI: 10.7270/Q2GX4BD9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50255950 (4-(Butane-1-sulfonylamino)-N-[1-(2S-ethyl-4-oxo-te...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB Curated by ChEMBL | Assay Description Inhibition of human cathepsin L by fluorescence assay | Bioorg Med Chem 17: 1307-24 (2009) Article DOI: 10.1016/j.bmc.2008.12.020 BindingDB Entry DOI: 10.7270/Q2GX4BD9 | |||||||||||
More data for this Ligand-Target Pair |