BDBM50016830 13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-benzyl-3,3-dimethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid::CHEMBL2370368
SMILES: CC1(C)SSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
InChI Key: InChIKey=VMCDTJFXUBRKBP-NNXSRULWSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Rattus norvegicus (rat)) | BDBM50016830 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline and French Laboratories Curated by ChEMBL | Assay Description The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]DADLE | J Med Chem 32: 302-4 (1989) BindingDB Entry DOI: 10.7270/Q2SX6DT2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Rattus norvegicus (rat)) | BDBM50016830 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline and French Laboratories Curated by ChEMBL | Assay Description The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]naloxone | J Med Chem 32: 302-4 (1989) BindingDB Entry DOI: 10.7270/Q2SX6DT2 | |||||||||||
More data for this Ligand-Target Pair |