BDBM50003202 CHEMBL331408::N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2-[2-{3-[2-carboxyamino-3-(4-sulfo-phenyl)-propionylamino]-benzoylamino}-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-succinamic acid
SMILES: CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@H](Cc2ccc(cc2)S(O)(=O)=O)NC(O)=O)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI Key: InChIKey=MYIFBJRCKAELDY-LQWITFIISA-N
Data: 2 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 receptor (RAT) | BDBM50003202 (CHEMBL331408 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center Curated by ChEMBL | Assay Description The compound was tested in vitro for inhibition of specific [3H]-propanoyl-CCK-8 binding to Cholecystokinin type A receptor in rat pancreatic membran... | J Med Chem 35: 3774-83 (1992) BindingDB Entry DOI: 10.7270/Q2CC0ZMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin B receptor (Bos taurus) | BDBM50003202 (CHEMBL331408 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center Curated by ChEMBL | Assay Description Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum | J Med Chem 35: 3774-83 (1992) BindingDB Entry DOI: 10.7270/Q2CC0ZMG | |||||||||||
More data for this Ligand-Target Pair |