BDBM50092393 3-(2-{[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sulfooxy-phenyl)-propionylamino]-hexanoylamino}-acetylamino)-3-(1H-indol-3-yl)-propionyl]-methyl-amino}-hexanoylamino)-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid::CHEMBL411271
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)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI Key: InChIKey=ADFBVAUNEXEYJP-KHVQSSSXSA-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 (Homo sapiens (Human)) | BDBM50092393 (3-(2-{[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-su...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Binding affinity against cholecystokinin type B receptor on guinea pig cortex. | J Med Chem 43: 3614-23 (2000) BindingDB Entry DOI: 10.7270/Q2RN373C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CCKBR (RAT) | BDBM50092393 (3-(2-{[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-su...) | PDB KEGG UniProtKB/SwissProt 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 Compound was tested for binding affinity against Cholecystokinin type B receptor expressed in CHO cells on the rat brain. | J Med Chem 43: 3614-23 (2000) BindingDB Entry DOI: 10.7270/Q2RN373C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin A receptor (Cavia porcellus) | BDBM50092393 (3-(2-{[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-su...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD 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 Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes. | J Med Chem 43: 3614-23 (2000) BindingDB Entry DOI: 10.7270/Q2RN373C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CCKBR (RAT) | BDBM50092393 (3-(2-{[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-su...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat brain. | J Med Chem 43: 3614-23 (2000) BindingDB Entry DOI: 10.7270/Q2RN373C | |||||||||||
More data for this Ligand-Target Pair |