BDBM50084278 7,7-Spiro analogue ofBuprinorphine::CHEMBL281986
SMILES: CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45
InChI Key: InChIKey=RLFSNZBLDVZMLA-MCRZJHBZSA-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 (Homo sapiens (Human)) | BDBM50084278 (7,7-Spiro analogue ofBuprinorphine | CHEMBL281986) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Binding affinity to cloned human Opioid receptor mu 1 transfected into hamster ovary cells using [3H]DAMGO as a radioligand. | J Med Chem 43: 139-41 (2000) BindingDB Entry DOI: 10.7270/Q2XS5W3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50084278 (7,7-Spiro analogue ofBuprinorphine | CHEMBL281986) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Binding affinity to cloned human Opioid receptor delta 1 transfected into hamster ovary cells using [3H]DPDPE as a radioligand. | J Med Chem 43: 139-41 (2000) BindingDB Entry DOI: 10.7270/Q2XS5W3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50084278 (7,7-Spiro analogue ofBuprinorphine | CHEMBL281986) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Binding affinity to cloned human Opioid receptor kappa 1 transfected into hamster ovary cells using [3H]U-69593 as a radioligand. | J Med Chem 43: 139-41 (2000) BindingDB Entry DOI: 10.7270/Q2XS5W3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50084278 (7,7-Spiro analogue ofBuprinorphine | CHEMBL281986) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description GTPgammaS binding in cloned human Opioid receptor mu 1 transfected into hamster ovary cells | J Med Chem 43: 139-41 (2000) BindingDB Entry DOI: 10.7270/Q2XS5W3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50084278 (7,7-Spiro analogue ofBuprinorphine | CHEMBL281986) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description GTPgammaS binding in cloned human Opioid receptor delta 1 transfected into hamster ovary cells | J Med Chem 43: 139-41 (2000) BindingDB Entry DOI: 10.7270/Q2XS5W3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50084278 (7,7-Spiro analogue ofBuprinorphine | CHEMBL281986) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description GTPgammaS binding in cloned human Opioid receptor kappa 1 transfected into hamster ovary cells | J Med Chem 43: 139-41 (2000) BindingDB Entry DOI: 10.7270/Q2XS5W3X | |||||||||||
More data for this Ligand-Target Pair |