BDBM50002485 3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(4-hydroxy-phenyl)-acryloylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-N-methyl-succinamic acid.AcOH; hydrate::CHEMBL433640
SMILES: CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)C=Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
InChI Key: InChIKey=BERNHFOYDVXQGI-BQYLNSIHSA-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)) | BDBM50002485 (3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortex | J Med Chem 35: 2007-14 (1992) BindingDB Entry DOI: 10.7270/Q21J9BDC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin A receptor (Cavia porcellus) | BDBM50002485 (3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig pancreas. | J Med Chem 35: 2007-14 (1992) BindingDB Entry DOI: 10.7270/Q21J9BDC | |||||||||||
More data for this Ligand-Target Pair |