BDBM50331047 2-(2-(((5R,9S,12S)-12-amino-9-(4-hydroxybenzyl)-7,11-dioxo-1,2-dithia-6,10-diazacyclotetradecane-5-carboxamido)methyl)phenyl)acetic acid::CHEMBL1277893
SMILES: N[C@H]1CCSSCC[C@@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
InChI Key: InChIKey=ANIBETHRRCCYKY-ACIOBRDBSA-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)) | BDBM50331047 (2-(2-(((5R,9S,12S)-12-amino-9-(4-hydroxybenzyl)-7,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 35 | 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)) | BDBM50331047 (2-(2-(((5R,9S,12S)-12-amino-9-(4-hydroxybenzyl)-7,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 230 | 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)) | BDBM50331047 (2-(2-(((5R,9S,12S)-12-amino-9-(4-hydroxybenzyl)-7,...) | 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 | 1.19E+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)) | BDBM50331047 (2-(2-(((5R,9S,12S)-12-amino-9-(4-hydroxybenzyl)-7,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.39E+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 |