BDBM50016424 CHEMBL216677::N-(2-Amino-1-benzyl-ethyl)-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
SMILES: CCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)CC(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(=O)N[C@H](CN)Cc1ccccc1
InChI Key: InChIKey=CLMAOBLWXNBDMB-LXNYBZNESA-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) | BDBM50016424 (CHEMBL216677 | N-(2-Amino-1-benzyl-ethyl)-3-{2-[2-...) | 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 | 120 | 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) | BDBM50016424 (CHEMBL216677 | N-(2-Amino-1-benzyl-ethyl)-3-{2-[2-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 1.50E+3 | 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 |