BDBM50326299 3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-2-oxopyrimidin-1(2H)-yl)propyl))-2-oxopentanamide::CHEMBL1242986
SMILES: CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O
InChI Key: InChIKey=PZIXFIHNPCGTEW-ANYOKISRSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Calpain-1 (Sus scrofa (pig)) | BDBM50326299 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 165 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology Curated by ChEMBL | Assay Description Inhibition of porcine erythrocyte calpain 1 | J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50326299 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology Curated by ChEMBL | Assay Description Inhibition of human liver cathepsin B | J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain 2 (Sus scrofa) | BDBM50326299 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...) | MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology Curated by ChEMBL | Assay Description Inhibition of porcine kidney calpain 2 | J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 | |||||||||||
More data for this Ligand-Target Pair |