BDBM50240930 CHEMBL4093898
SMILES: CCn1c(=O)n(C)c2nc(S)n(C)c2c1=O
InChI Key: InChIKey=STSHACDJOZRALQ-UHFFFAOYSA-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 |
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Legumain (Homo sapiens (Human)) | BDBM50240930 (CHEMBL4093898) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Chemical Biology Discovery Center Emory University School of Medicine Atlanta Curated by ChEMBL | Assay Description Inhibition of AEP (unknown origin) using Cbz-Ala-Ala-Asn-AMC as substrate after 15 mins by fluorescence assay | J Med Chem 60: 7244-7255 (2017) Article DOI: 10.1021/acs.jmedchem.7b00228 BindingDB Entry DOI: 10.7270/Q2542QRV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase (Homo sapiens (Human)) | BDBM50240930 (CHEMBL4093898) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Chemical Biology Discovery Center Emory University School of Medicine Atlanta Curated by ChEMBL | Assay Description Inhibition of caspase-8 (unknown origin) | J Med Chem 60: 7244-7255 (2017) Article DOI: 10.1021/acs.jmedchem.7b00228 BindingDB Entry DOI: 10.7270/Q2542QRV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM50240930 (CHEMBL4093898) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Chemical Biology Discovery Center Emory University School of Medicine Atlanta Curated by ChEMBL | Assay Description Inhibition of caspase-3 (unknown origin) | J Med Chem 60: 7244-7255 (2017) Article DOI: 10.1021/acs.jmedchem.7b00228 BindingDB Entry DOI: 10.7270/Q2542QRV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM50240930 (CHEMBL4093898) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Chemical Biology Discovery Center Emory University School of Medicine Atlanta Curated by ChEMBL | Assay Description Inhibition of cathepsin-S (unknown origin) | J Med Chem 60: 7244-7255 (2017) Article DOI: 10.1021/acs.jmedchem.7b00228 BindingDB Entry DOI: 10.7270/Q2542QRV | |||||||||||
More data for this Ligand-Target Pair |