BDBM50224873 (6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine-8-carboxylic acid [2-(4'-methoxy-biphenyl-4-yl)-ethyl]-amide::CHEMBL249985
SMILES: COc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1
InChI Key: InChIKey=XREFQBQBSMEQOG-HUSBTFBPSA-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)) | BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells | Bioorg Med Chem Lett 17: 6516-20 (2007) Article DOI: 10.1016/j.bmcl.2007.09.082 BindingDB Entry DOI: 10.7270/Q21R6RCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting | Bioorg Med Chem Lett 22: 7340-4 (2012) Article DOI: 10.1016/j.bmcl.2012.10.081 BindingDB Entry DOI: 10.7270/Q2N017Q6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting | Bioorg Med Chem Lett 22: 7340-4 (2012) Article DOI: 10.1016/j.bmcl.2012.10.081 BindingDB Entry DOI: 10.7270/Q2N017Q6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Displacement of [3H]naltrindole from delta opioid receptor expressed in CHO cells | Bioorg Med Chem Lett 17: 6516-20 (2007) Article DOI: 10.1016/j.bmcl.2007.09.082 BindingDB Entry DOI: 10.7270/Q21R6RCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting | Bioorg Med Chem Lett 22: 7340-4 (2012) Article DOI: 10.1016/j.bmcl.2012.10.081 BindingDB Entry DOI: 10.7270/Q2N017Q6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Displacement of [3H]U-69593 from kappa opioid receptor expressed in CHO cells | Bioorg Med Chem Lett 17: 6516-20 (2007) Article DOI: 10.1016/j.bmcl.2007.09.082 BindingDB Entry DOI: 10.7270/Q21R6RCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO induced [35S]GTP-gamma-S binding | Bioorg Med Chem Lett 17: 6516-20 (2007) Article DOI: 10.1016/j.bmcl.2007.09.082 BindingDB Entry DOI: 10.7270/Q21R6RCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay | Bioorg Med Chem Lett 17: 6516-20 (2007) Article DOI: 10.1016/j.bmcl.2007.09.082 BindingDB Entry DOI: 10.7270/Q21R6RCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.680 | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Agonist activity at human delta opioid receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay | Bioorg Med Chem Lett 17: 6516-20 (2007) Article DOI: 10.1016/j.bmcl.2007.09.082 BindingDB Entry DOI: 10.7270/Q21R6RCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Agonist activity at human mu opioid receptor expressed in CHO cell membrane by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 17: 6516-20 (2007) Article DOI: 10.1016/j.bmcl.2007.09.082 BindingDB Entry DOI: 10.7270/Q21R6RCT | |||||||||||
More data for this Ligand-Target Pair |