BDBM50010532 13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-benzyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid (1-{[1-(1-ethylcarbamoyl-3-methyl-butylcarbamoyl)-4-guanidino-butyl]-methyl-carbamoyl}-4-guanidino-butyl)-amide::CHEMBL441939
SMILES: CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1
InChI Key: InChIKey=UQHCMUXJGZRDTC-ADYVUFBVSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (GUINEA PIG) | BDBM50010532 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd. Curated by ChEMBL | Assay Description Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays. | J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50010532 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd. Curated by ChEMBL | Assay Description Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays. | J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50010532 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd. Curated by ChEMBL | Assay Description Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays... | J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50010532 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd. Curated by ChEMBL | Assay Description Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) | J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50010532 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd. Curated by ChEMBL | Assay Description Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). | J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50010532 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.00700 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd. Curated by ChEMBL | Assay Description Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays. | J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6 | |||||||||||
More data for this Ligand-Target Pair |