BDBM50016423 3-{2-[2-{[9-tert-Butoxycarbonylamino-3-butyl-2,5,8,11-tetraoxo-6-(4-sulfooxy-benzyl)-1,4,7,12tetraaza-cycloheptadecane-17-carbonyl]-amino}-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-succinamic acid::CHEMBL3037884
SMILES: CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(N)=O
InChI Key: InChIKey=YUGSBOXNBPQYBC-ZJCYNXJXSA-N
Data: 2 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 (Mus musculus-MOUSE) | BDBM50016423 (3-{2-[2-{[9-tert-Butoxycarbonylamino-3-butyl-2,5,8...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in mouse brain membranes at a KD conce... | J Med Chem 30: 962-8 (1987) BindingDB Entry DOI: 10.7270/Q21J98R1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (RAT) | BDBM50016423 (3-{2-[2-{[9-tert-Butoxycarbonylamino-3-butyl-2,5,8...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in rat pancreas membrane... | J Med Chem 30: 962-8 (1987) BindingDB Entry DOI: 10.7270/Q21J98R1 | |||||||||||
More data for this Ligand-Target Pair |