BDBM50033631 2-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sulfo-phenyl)-propionylamino]-4-methylsulfanyl-butyrylamino}-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-succinic acid 1-phenethyl ester::CHEMBL386811
SMILES: CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)OCCc1ccccc1
InChI Key: InChIKey=CVCDJFWPDDHHOS-IURJAOHMSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pancreatic alpha-amylase (HPA) (Homo sapiens (Human)) | BDBM50033631 (2-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
EP CNRS 51 Curated by ChEMBL | Assay Description Tested in vitro for inhibition of amylase release from rat pancreatic acini | J Med Chem 36: 3021-8 (1993) BindingDB Entry DOI: 10.7270/Q2PZ57VG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM50033631 (2-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
EP CNRS 51 Curated by ChEMBL | Assay Description Inhibition of [125I]-BH-CCK- binding to cholecystokinin type B receptor from guinea pig brain membranes | J Med Chem 36: 3021-8 (1993) BindingDB Entry DOI: 10.7270/Q2PZ57VG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM50033631 (2-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
EP CNRS 51 Curated by ChEMBL | Assay Description Tested in vitro for amylase release from rat pancreatic acini (percent of secretion) | J Med Chem 36: 3021-8 (1993) BindingDB Entry DOI: 10.7270/Q2PZ57VG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM50033631 (2-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
EP CNRS 51 Curated by ChEMBL | Assay Description Inhibition of [125I]-BH-CCK- binding to cholecystokinin type B receptor from jurkat Tcells | J Med Chem 36: 3021-8 (1993) BindingDB Entry DOI: 10.7270/Q2PZ57VG | |||||||||||
More data for this Ligand-Target Pair |