BDBM50044032 (S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[(S)-2-(3,3-diphenyl-propionylamino)-3-1H-indol-3-yl-propionylamino]-6-(3-o-tolyl-ureido)-hexanoylamino]-N-methyl-succinamic acid::CHEMBL412544
SMILES: CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(c1ccccc1)c1ccccc1
InChI Key: InChIKey=YPJJGPAITLRMHR-GBGBWPTHSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM50044032 ((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[(...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Concentration required to inhibit 50% of specific binding to Cholecystokinin type B receptor in guinea pig cortex using [125I]Bolton-Hunter CCK-8 | J Med Chem 37: 309-13 (1994) BindingDB Entry DOI: 10.7270/Q2445N4S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin A receptor (Cavia porcellus) | BDBM50044032 ((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[(...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of [125I]Bolton-Hunter CCK-8 binding to cholecystokinin type A receptor in guinea pig pancreas | J Med Chem 37: 309-13 (1994) BindingDB Entry DOI: 10.7270/Q2445N4S | |||||||||||
More data for this Ligand-Target Pair |