BDBM50061829 (R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-({(S)-2-[(S)-3-(1H-indol-3-yl)-2-(2-{(S)-2-[2-(4-sulfooxy-phenyl)-acetylamino]-hexanoylamino}-acetylamino)-propionylamino]-hexanoyl}-methyl-amino)-succinamic acid::CHEMBL423907
SMILES: CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI Key: InChIKey=UPYRHIUUCMHYRX-GOXAKLKVSA-N
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 (RAT) | BDBM50061829 ((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-({(S)-2-[...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rochester Curated by ChEMBL | Assay Description Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue | J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CCKBR (RAT) | BDBM50061829 ((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-({(S)-2-[...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rochester Curated by ChEMBL | Assay Description Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes | J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM50061829 ((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-({(S)-2-[...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.0251 | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Agonist activity at human CCK1R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay | J Med Chem 62: 1407-1419 (2019) Article DOI: 10.1021/acs.jmedchem.8b01558 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM50061829 ((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-({(S)-2-[...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [125I]-CCK-8 from human CCK2R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay | J Med Chem 62: 1407-1419 (2019) Article DOI: 10.1021/acs.jmedchem.8b01558 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM50061829 ((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-({(S)-2-[...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay | J Med Chem 62: 1407-1419 (2019) Article DOI: 10.1021/acs.jmedchem.8b01558 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM50061829 ((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-({(S)-2-[...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.0447 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay | J Med Chem 62: 1407-1419 (2019) Article DOI: 10.1021/acs.jmedchem.8b01558 | |||||||||||
More data for this Ligand-Target Pair |