BDBM50326047 (6S,9R,12R)-1-((R)-1-((R)-2-((S)-1-((S)-5-amino-2-((R)-2-amino-3-mercaptopropanamido)-5-oxopentanoyl)pyrrolidine-2-carboxamido)-3-(1H-imidazol-5-yl)propanoyl)pyrrolidin-2-yl)-6-(3-amino-3-oxopropyl)-9-((R)-1-hydroxyethyl)-12-(mercaptomethyl)-1,4,7,10-tetraoxo-2,5,8,11-tetraazatridecan-13-oic acid::CHEMBL1240685
SMILES: C[C@@H](O)[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@H](CS)C(O)=O
InChI Key: InChIKey=NPDCPCSUDZVMAN-SOAPZXLMSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pancreatic lipase (Homo sapiens (Human)) | BDBM50326047 ((6S,9R,12R)-1-((R)-1-((R)-2-((S)-1-((S)-5-amino-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratory of Molecular Biology, Medical Research Council Curated by ChEMBL | Assay Description Binding affinity to pancreatic lipase | Nat Chem Biol 5: 502-7 (2009) Article DOI: 10.1038/nchembio.184 BindingDB Entry DOI: 10.7270/Q2Z60P9P | |||||||||||
More data for this Ligand-Target Pair |