BDBM19531 (2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(4-cyanophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide::trifluoroethylamine analogue, 20
SMILES: CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C#N)C(F)(F)F)C(=O)NCC#N
InChI Key: InChIKey=HDTFLVIWSNGBAC-SFTDATJTSA-N
Data: 4 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 S (Homo sapiens (Human)) | BDBM19531 ((2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(4-cyanophenyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 172 | n/a | n/a | n/a | n/a | 6.5 | 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 ... | Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM19531 ((2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(4-cyanophenyl)...) | 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 | 344 | n/a | n/a | n/a | n/a | n/a | n/a |
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 ... | Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Oryctolagus cuniculus (rabbit)) | BDBM19531 ((2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(4-cyanophenyl)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
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 ... | Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM19531 ((2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(4-cyanophenyl)...) | 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 | 7.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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 ... | Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H | |||||||||||
More data for this Ligand-Target Pair |