BDBM50097579 (6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine-8-carboxylic acid amide::8-CAC::8-carboxamidocyclazocine::CHEMBL58646::US9656961, Example 00157
SMILES: C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O
InChI Key: InChIKey=FAVQVALXVLMHLE-BKBNBNODSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50097579 ((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 | 0.0600 | 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 | Bioorg Med Chem 16: 5653-64 (2008) Article DOI: 10.1016/j.bmc.2008.03.066 BindingDB Entry DOI: 10.7270/Q23X87JZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50097579 ((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 | 0.0600 | 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]U-69593 from human kappa opioid receptor expressed in CHO cells | J Med Chem 49: 5635-9 (2006) Article DOI: 10.1021/jm060278n BindingDB Entry DOI: 10.7270/Q208663G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50097579 ((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 | 0.0600 | 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)) | BDBM50097579 ((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 | US Patent | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ALKERMES PHARMA IRELAND LIMITED US Patent | Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ... | US Patent US9656961 (2017) BindingDB Entry DOI: 10.7270/Q2PR7Z13 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50097579 ((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 | 0.310 | 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 | Bioorg Med Chem 16: 5653-64 (2008) Article DOI: 10.1016/j.bmc.2008.03.066 BindingDB Entry DOI: 10.7270/Q23X87JZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50097579 ((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 | 0.310 | 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)) | BDBM50097579 ((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 | 0.310 | 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 | J Med Chem 49: 5635-9 (2006) Article DOI: 10.1021/jm060278n BindingDB Entry DOI: 10.7270/Q208663G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50097579 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rochester Curated by PDSP Ki Database | J Pharmacol Exp Ther 302: 374-80 (2002) Article DOI: 10.1124/jpet.302.1.374 BindingDB Entry DOI: 10.7270/Q2959G3P | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50097579 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Binding affinity was determined towards opioid receptor mu1 using [3H]-DAMGO as radioligand | Bioorg Med Chem Lett 13: 1911-4 (2003) BindingDB Entry DOI: 10.7270/Q2FB529V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50097579 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.410 | 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 Opioid receptor mu 1 of guinea pig brain membranes | Bioorg Med Chem Lett 11: 623-6 (2001) BindingDB Entry DOI: 10.7270/Q2542MVZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50097579 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rochester Curated by PDSP Ki Database | J Pharmacol Exp Ther 302: 374-80 (2002) Article DOI: 10.1124/jpet.302.1.374 BindingDB Entry DOI: 10.7270/Q2959G3P | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50097579 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Binding affinity was determined towards opioid receptor kappa 1 using [3H]U69,593 as radioligand | Bioorg Med Chem Lett 13: 1911-4 (2003) BindingDB Entry DOI: 10.7270/Q2FB529V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50097579 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.530 | 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]U-69593 from Opioid receptor kappa 1 of guinea pig brain membranes | Bioorg Med Chem Lett 11: 623-6 (2001) BindingDB Entry DOI: 10.7270/Q2542MVZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50097579 ((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 | 5.20 | 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 | Bioorg Med Chem 16: 5653-64 (2008) Article DOI: 10.1016/j.bmc.2008.03.066 BindingDB Entry DOI: 10.7270/Q23X87JZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50097579 ((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 | 5.20 | 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 | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50097579 ((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 | 5.20 | 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 | J Med Chem 49: 5635-9 (2006) Article DOI: 10.1021/jm060278n BindingDB Entry DOI: 10.7270/Q208663G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50097579 ((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 | PubMed | 8.30 | 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 Opioid receptor delta 1 of guinea pig brain membranes | Bioorg Med Chem Lett 11: 623-6 (2001) BindingDB Entry DOI: 10.7270/Q2542MVZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50097579 ((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 | PubMed | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Binding affinity was determined towards Opioid receptor delta 1 using [3H]-Naltrindole as radioligand | Bioorg Med Chem Lett 13: 1911-4 (2003) BindingDB Entry DOI: 10.7270/Q2FB529V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50097579 ((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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Antagonist activity against human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding | J Med Chem 49: 5635-9 (2006) Article DOI: 10.1021/jm060278n BindingDB Entry DOI: 10.7270/Q208663G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50097579 ((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 | 4.40 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from human kappa opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting | Bioorg Med Chem Lett 23: 2128-33 (2013) Article DOI: 10.1016/j.bmcl.2013.01.117 BindingDB Entry DOI: 10.7270/Q2765GQZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50097579 ((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 | 2.70 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins b... | Bioorg Med Chem Lett 23: 2128-33 (2013) Article DOI: 10.1016/j.bmcl.2013.01.117 BindingDB Entry DOI: 10.7270/Q2765GQZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50097579 ((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 | 4.40 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Antagonist activity against human kappa opioid receptor expressed in CHO cells assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding | J Med Chem 49: 5635-9 (2006) Article DOI: 10.1021/jm060278n BindingDB Entry DOI: 10.7270/Q208663G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50097579 ((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 | US Patent | n/a | n/a | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a |
ALKERMES PHARMA IRELAND LIMITED US Patent | Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ... | US Patent US9656961 (2017) BindingDB Entry DOI: 10.7270/Q2PR7Z13 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50097579 ((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 | US Patent | n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
ALKERMES PHARMA IRELAND LIMITED US Patent | Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ... | US Patent US9656961 (2017) BindingDB Entry DOI: 10.7270/Q2PR7Z13 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50097579 ((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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Antagonist activity against human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding | J Med Chem 49: 5635-9 (2006) Article DOI: 10.1021/jm060278n BindingDB Entry DOI: 10.7270/Q208663G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50097579 ((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 | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding af... | Bioorg Med Chem Lett 23: 2128-33 (2013) Article DOI: 10.1016/j.bmcl.2013.01.117 BindingDB Entry DOI: 10.7270/Q2765GQZ | |||||||||||
More data for this Ligand-Target Pair |