BDBM19817 (1R,2R)-N-(cyanomethyl)-2-[(phenylsulfanyl)methyl]cyclohexane-1-carboxamide::Cyclohexanecarboxamide derivative, 12a::racemic mixture
SMILES: O=C(NCC#N)[C@@H]1CCCC[C@H]1CSc1ccccc1
InChI Key: InChIKey=BFAFBMJYAAHSML-DZGCQCFKSA-N
Data: 3 IC50
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 K (Oryctolagus cuniculus (rabbit)) | BDBM19817 ((1R,2R)-N-(cyanomethyl)-2-[(phenylsulfanyl)methyl]...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 172 | n/a | n/a | n/a | n/a | 5.5 | 22 |
Merck Frosst Centre for Therapeutic Research | Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ... | J Med Chem 49: 1066-79 (2006) Article DOI: 10.1021/jm051059p BindingDB Entry DOI: 10.7270/Q2DF6PH3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM19817 ((1R,2R)-N-(cyanomethyl)-2-[(phenylsulfanyl)methyl]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t Curated by ChEMBL | Assay Description Inhibition of cathepsin B | J Med Chem 55: 2932-42 (2012) Article DOI: 10.1021/jm201706b BindingDB Entry DOI: 10.7270/Q2RJ4KGS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM19817 ((1R,2R)-N-(cyanomethyl)-2-[(phenylsulfanyl)methyl]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t Curated by ChEMBL | Assay Description Inhibition of cathepsin L | J Med Chem 55: 2932-42 (2012) Article DOI: 10.1021/jm201706b BindingDB Entry DOI: 10.7270/Q2RJ4KGS | |||||||||||
More data for this Ligand-Target Pair |