BDBM50127338 (S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioic acid (tetrahydro-furan-2-ylmethyl)-amide::CHEMBL289137
SMILES: CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NCC1CCCO1
InChI Key: InChIKey=JASMTTLIMCQUTI-ZENAZSQFSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50127338 ((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 308 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal Curated by ChEMBL | Assay Description Binding affinity for delta opioid receptor | Bioorg Med Chem Lett 13: 1585-9 (2003) BindingDB Entry DOI: 10.7270/Q2377838 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50127338 ((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 481 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal Curated by ChEMBL | Assay Description Binding affinity for kappa opioid receptor | Bioorg Med Chem Lett 13: 1585-9 (2003) BindingDB Entry DOI: 10.7270/Q2377838 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50127338 ((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 685 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal Curated by ChEMBL | Assay Description Binding affinity for mu opioid receptor | Bioorg Med Chem Lett 13: 1585-9 (2003) BindingDB Entry DOI: 10.7270/Q2377838 | |||||||||||
More data for this Ligand-Target Pair |