BDBM50143610 6-amino-20-cyclobutylmethyl-(1R,12S)-7-thia-5,20-diazapentacyclo[10.5.3.01,13.02,10.04,8]icosa-2(10),3,5,8-tetraen-11-one::CHEMBL299713
SMILES: Nc1nc2cc3c(cc2s1)C(=O)[C@@H]1C2CCCC[C@]32CCN1CC1CCC1
InChI Key: InChIKey=TWEQNWYNTADICN-ORDHDVHWSA-N
Data: 3 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 (Homo sapiens (Human)) | BDBM50143610 (6-amino-20-cyclobutylmethyl-(1R,12S)-7-thia-5,20-d...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes | J Med Chem 47: 1886-8 (2004) Article DOI: 10.1021/jm049978n BindingDB Entry DOI: 10.7270/Q2N58N4X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50143610 (6-amino-20-cyclobutylmethyl-(1R,12S)-7-thia-5,20-d...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane | J Med Chem 47: 1886-8 (2004) Article DOI: 10.1021/jm049978n BindingDB Entry DOI: 10.7270/Q2N58N4X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50143610 (6-amino-20-cyclobutylmethyl-(1R,12S)-7-thia-5,20-d...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hamster ovary membrane | J Med Chem 47: 1886-8 (2004) Article DOI: 10.1021/jm049978n BindingDB Entry DOI: 10.7270/Q2N58N4X | |||||||||||
More data for this Ligand-Target Pair |