BDBM50004436 3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-carboxy-ethylcarbamoyl]-pentylcarbamoyl}-2-(1H-indol-3-yl)-ethylcarbamoyl]-methyl}-methyl-carbamoyl)-pentylcarbamoyl]-2-(4-sulfooxy-phenyl)-ethyl]-succinamic acid::CHEMBL386682
SMILES: CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C)C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI Key: InChIKey=WJUUWVNFYPKNAN-VLOLPVCOSA-N
Data: 3 EC50
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 A receptor (Cavia porcellus) | BDBM50004436 (3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Hadassah-University Hospital Curated by ChEMBL | Assay Description In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor | J Med Chem 35: 2806-11 (1992) BindingDB Entry DOI: 10.7270/Q28C9V6B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM50004436 (3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a |
Hadassah-University Hospital Curated by ChEMBL | Assay Description In vitro smooth muscle contraction activity in guinea pig ileum consists of two or three CCK receptor subtypes | J Med Chem 35: 2806-11 (1992) BindingDB Entry DOI: 10.7270/Q28C9V6B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM50004436 (3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
Hadassah-University Hospital Curated by ChEMBL | Assay Description In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype | J Med Chem 35: 2806-11 (1992) BindingDB Entry DOI: 10.7270/Q28C9V6B | |||||||||||
More data for this Ligand-Target Pair |