BDBM50040523 (S)-3-{[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-(3-o-tolyl-ureido)-hexanoyl]-methyl-amino}-N-((S)-1-carbamoyl-2-phenyl-ethyl)-succinamic acid::CHEMBL156559
SMILES: CN([C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
InChI Key: InChIKey=KONMZUWCOVKBMG-ZYADHFCISA-N
Data: 10 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 A receptor (Cavia porcellus) | BDBM50040523 ((S)-3-{[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.70 | 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 | |||||||||||||
Cholecystokinin A receptor (Cavia porcellus) | BDBM50040523 ((S)-3-{[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]BH-CCK-8 from Cholecystokinin type A receptor in guinea pig pancreas | J Med Chem 33: 2950-2 (1990) BindingDB Entry DOI: 10.7270/Q2M32WCP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin A receptor (Cavia porcellus) | BDBM50040523 ((S)-3-{[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3 | 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 | |||||||||||||
Cholecystokinin A receptor (Cavia porcellus) | BDBM50040523 ((S)-3-{[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas | J Med Chem 37: 630-5 (1994) BindingDB Entry DOI: 10.7270/Q23X878C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM50040523 ((S)-3-{[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.70E+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 receptor (Homo sapiens (Human)) | BDBM50040523 ((S)-3-{[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type B receptor in guinea pig cortex | J Med Chem 37: 630-5 (1994) BindingDB Entry DOI: 10.7270/Q23X878C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM50040523 ((S)-3-{[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]BH-CCK-8 from Cholecystokinin type B receptor of guinea pig cortex | J Med Chem 33: 2950-2 (1990) BindingDB Entry DOI: 10.7270/Q2M32WCP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM50040523 ((S)-3-{[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.50E+3 | 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 receptor (Homo sapiens (Human)) | BDBM50040523 ((S)-3-{[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type B receptor in guinea pig cortex | J Med Chem 37: 630-5 (1994) BindingDB Entry DOI: 10.7270/Q23X878C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin A receptor (Cavia porcellus) | BDBM50040523 ((S)-3-{[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas | J Med Chem 37: 630-5 (1994) BindingDB Entry DOI: 10.7270/Q23X878C | |||||||||||
More data for this Ligand-Target Pair |