BDBM50039995 CHEMBL98777::[(S)-1-(1-Ethylcarbamoyl-2-phenyl-ethylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester
SMILES: CCNC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
InChI Key: InChIKey=PNRWOFORTRJIMC-HMTLIYDFSA-N
Data: 6 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-2 (m-Calpain) (Homo sapiens (Human)) | BDBM50039995 (CHEMBL98777 | [(S)-1-(1-Ethylcarbamoyl-2-phenyl-et...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Alkermes, Inc. Curated by ChEMBL | Assay Description Tested for inhibitory activity on human calpain 2 from placenta | J Med Chem 37: 2918-29 (1994) BindingDB Entry DOI: 10.7270/Q2BR8R64 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain 2 (Bos taurus) | BDBM50039995 (CHEMBL98777 | [(S)-1-(1-Ethylcarbamoyl-2-phenyl-et...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Alkermes, Inc. Curated by ChEMBL | Assay Description Tested for inhibitory activity on bovine calpain 2 from heart | J Med Chem 37: 2918-29 (1994) BindingDB Entry DOI: 10.7270/Q2BR8R64 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain-2 (m-Calpain) (Homo sapiens (Human)) | BDBM50039995 (CHEMBL98777 | [(S)-1-(1-Ethylcarbamoyl-2-phenyl-et...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Alkermes, Inc. Curated by ChEMBL | Assay Description Tested for inhibitory activity on porcine calpain 2 from kidney | J Med Chem 37: 2918-29 (1994) BindingDB Entry DOI: 10.7270/Q2BR8R64 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain1 (Homo sapiens (Human)) | BDBM50039995 (CHEMBL98777 | [(S)-1-(1-Ethylcarbamoyl-2-phenyl-et...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Alkermes, Inc. Curated by ChEMBL | Assay Description Tested for inhibitory activity on human calpain 1 from erythrocytes | J Med Chem 37: 2918-29 (1994) BindingDB Entry DOI: 10.7270/Q2BR8R64 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain1 (Homo sapiens (Human)) | BDBM50039995 (CHEMBL98777 | [(S)-1-(1-Ethylcarbamoyl-2-phenyl-et...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Alkermes, Inc. Curated by ChEMBL | Assay Description In vitro inhibition of porcine erythrocyte calpain 1. | J Med Chem 37: 2918-29 (1994) BindingDB Entry DOI: 10.7270/Q2BR8R64 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain1 (Homo sapiens (Human)) | BDBM50039995 (CHEMBL98777 | [(S)-1-(1-Ethylcarbamoyl-2-phenyl-et...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Alkermes, Inc. Curated by ChEMBL | Assay Description In vitro inhibition of porcine erythrocyte calpain 1. | J Med Chem 37: 2918-29 (1994) BindingDB Entry DOI: 10.7270/Q2BR8R64 | |||||||||||
More data for this Ligand-Target Pair |