BDBM50016504 (S)-3-(2-{[(S)-2-(2-{2-[2-tert-Butoxycarbonylamino-3-((S)-4-sulfooxy-phenyl)-propionylamino]-hexanoylamino}-acetylamino)-3-(1H-indol-3-yl)-propionyl]-methyl-amino}-hexanoylamino)-N-((S)-1-carbamoyl-2-phenyl-ethyl)-succinamic acid::BC-264::Boc-Asp-Tyr(SO3Na)-Nle-Gly-Trp-Nle-Asp-Phe-NH2::Boc-Tyr(SO3Na)-gNle-mGIy-Trp-(N-Me)Nle-Asp-Phe-NH2::CHEMBL428666
SMILES: CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS([O-])(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI Key: InChIKey=CSXIDZJPJYRGSK-UJKKYYSESA-M
Data: 6 KI
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)) | BDBM50016504 ((S)-3-(2-{[(S)-2-(2-{2-[2-tert-Butoxycarbonylamino...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Tested for the inhibition of [3H]-pCCK-8 binding to Cholecystokinin type B receptor in guinea pig brain | Bioorg Med Chem Lett 3: 847-850 (1993) Article DOI: 10.1016/S0960-894X(00)80678-2 BindingDB Entry DOI: 10.7270/Q2P26Z28 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin A receptor (Cavia porcellus) | BDBM50016504 ((S)-3-(2-{[(S)-2-(2-{2-[2-tert-Butoxycarbonylamino...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig brain | J Med Chem 32: 445-9 (1989) BindingDB Entry DOI: 10.7270/Q2S181GT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin A receptor (Cavia porcellus) | BDBM50016504 ((S)-3-(2-{[(S)-2-(2-{2-[2-tert-Butoxycarbonylamino...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Ability to displace 1 nM [3H]pCCK-8 from Cholecystokinin type A receptor in guinea pig pancreatic membranes | Bioorg Med Chem Lett 14: 369-72 (2003) BindingDB Entry DOI: 10.7270/Q2RJ4K1Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin A receptor (Cavia porcellus) | BDBM50016504 ((S)-3-(2-{[(S)-2-(2-{2-[2-tert-Butoxycarbonylamino...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig pancreatic membrane | J Med Chem 32: 445-9 (1989) BindingDB Entry DOI: 10.7270/Q2S181GT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin A receptor (Cavia porcellus) | BDBM50016504 ((S)-3-(2-{[(S)-2-(2-{2-[2-tert-Butoxycarbonylamino...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article | 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Tested for the inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor in pancreatic membranes of guinea-pig | Bioorg Med Chem Lett 3: 847-850 (1993) Article DOI: 10.1016/S0960-894X(00)80678-2 BindingDB Entry DOI: 10.7270/Q2P26Z28 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CCKBR (RAT) | BDBM50016504 ((S)-3-(2-{[(S)-2-(2-{2-[2-tert-Butoxycarbonylamino...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Ability to displace 1 nM [3H]pCCK-8 from rat Cholecystokinin type B receptor stably expressing in CHO cells | Bioorg Med Chem Lett 14: 369-72 (2003) BindingDB Entry DOI: 10.7270/Q2RJ4K1Z | |||||||||||
More data for this Ligand-Target Pair |