BDBM50499736 CHEMBL3740601
SMILES: NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)C#N
InChI Key: InChIKey=YWRRVZYQZWHQKZ-HKUYNNGSSA-N
Data: 6 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Legumain (Homo sapiens (Human)) | BDBM50499736 (CHEMBL3740601) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University Belfast Curated by ChEMBL | Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis | Bioorg Med Chem Lett 25: 5642-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.001 BindingDB Entry DOI: 10.7270/Q2280BM6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50499736 (CHEMBL3740601) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University Belfast Curated by ChEMBL | Assay Description Inhibition of recombinant cathepsin B (unknown origin) using Z-Leu-Arg-AMC fluorogenic substrate | Bioorg Med Chem Lett 25: 5642-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.001 BindingDB Entry DOI: 10.7270/Q2280BM6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM50499736 (CHEMBL3740601) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University Belfast Curated by ChEMBL | Assay Description Inhibition of recombinant caspase 3 (unknown origin) using DEVD-AFC fluorogenic substrate | Bioorg Med Chem Lett 25: 5642-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.001 BindingDB Entry DOI: 10.7270/Q2280BM6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM50499736 (CHEMBL3740601) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University Belfast Curated by ChEMBL | Assay Description Inhibition of recombinant cathepsin S (unknown origin) using ZVVR-AMC fluorogenic substrate | Bioorg Med Chem Lett 25: 5642-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.001 BindingDB Entry DOI: 10.7270/Q2280BM6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase (Homo sapiens (Human)) | BDBM50499736 (CHEMBL3740601) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University Belfast Curated by ChEMBL | Assay Description Inhibition of recombinant caspase 8 (unknown origin) using IETD-AFC fluorogenic substrate | Bioorg Med Chem Lett 25: 5642-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.001 BindingDB Entry DOI: 10.7270/Q2280BM6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ubiquitin carboxyl-terminal hydrolase 17 (Homo sapiens) | BDBM50499736 (CHEMBL3740601) | UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University Belfast Curated by ChEMBL | Assay Description Inhibition of USP17 in human HEK293T cells using fluorogenic substrate ub-rhodamine110 preincubated for 30 mins followed by substrate addition measur... | Bioorg Med Chem Lett 25: 5642-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.001 BindingDB Entry DOI: 10.7270/Q2280BM6 | |||||||||||
More data for this Ligand-Target Pair |