BDBM50331040 (5S,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-7,10-dioxo-1,2-dithia-6,9-diazacyclotridecane-5-carboxamide::CHEMBL1277531
SMILES: N[C@H]1CCSSCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1
InChI Key: InChIKey=BLMYSIXWZPOZOC-ACRUOGEOSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human)) | BDBM50331040 ((5S,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1... | J Med Chem 53: 8059-71 (2010) Article DOI: 10.1021/jm100793t BindingDB Entry DOI: 10.7270/Q23B60C6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human)) | BDBM50331040 ((5S,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells | J Med Chem 53: 8059-71 (2010) Article DOI: 10.1021/jm100793t BindingDB Entry DOI: 10.7270/Q23B60C6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aminopeptidase N (Homo sapiens (Human)) | BDBM50331040 ((5S,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of catalytic activity of human recombinant aminopeptidase N expressed in HEK293 cells | J Med Chem 53: 8059-71 (2010) Article DOI: 10.1021/jm100793t BindingDB Entry DOI: 10.7270/Q23B60C6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human)) | BDBM50331040 ((5S,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in absence of 30 mM EDTA/600 uM 1,... | J Med Chem 53: 8059-71 (2010) Article DOI: 10.1021/jm100793t BindingDB Entry DOI: 10.7270/Q23B60C6 | |||||||||||
More data for this Ligand-Target Pair |