BDBM50095705 3-But-2-ynyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol::CHEMBL147945
SMILES: CC#CCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21
InChI Key: InChIKey=GIOYNGKQYISMBH-VCMPKCBFSA-N
Data: 4 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 |
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Mu-type opioid receptor (MOUSE) | BDBM50095705 (3-But-2-ynyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Ki value determined against Opioid receptor mu 1 using [3H]-DAMGO at the Kd concentration 0.57 nM | J Med Chem 43: 5030-6 (2001) BindingDB Entry DOI: 10.7270/Q2CV4H0C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50095705 (3-But-2-ynyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Ki value determined against Opioid receptor kappa 1 using [3H]U69, 593 at the Kd concentration 0.95 nM | J Med Chem 43: 5030-6 (2001) BindingDB Entry DOI: 10.7270/Q2CV4H0C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50095705 (3-But-2-ynyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Ki value determined against Opioid receptor delta 1 using [3H]-DPDPE at the Kd concentration 2.1 nM | J Med Chem 43: 5030-6 (2001) BindingDB Entry DOI: 10.7270/Q2CV4H0C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse)) | BDBM50095705 (3-But-2-ynyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Ki value determined against Sigma opioid receptor type 1 using [(+)-[3H]pentazocaine at the Kd concentration 2nM | J Med Chem 43: 5030-6 (2001) BindingDB Entry DOI: 10.7270/Q2CV4H0C | |||||||||||
More data for this Ligand-Target Pair |