BDBM50194264 (+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-cis-6,11-dimethyl-N-(2-[1,1'-biphenyl]-4-ylethyl)-2,6-methano-3-benzazocine-8-carboxamide::(6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine-8-carboxylic acid (2-biphenyl-4-yl-ethyl)-amide::CHEMBL377789::US9656961, Example 00154::cis-rac-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine-8-carboxylic acid (2-biphenyl-4-yl-ethyl)-amide
SMILES: C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1
InChI Key: InChIKey=GZDNGLGWJBOMSN-CHCCDMOGSA-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)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | 0.260 | 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)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.300 | 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 | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.300 | 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 (Homo sapiens (Human)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.300 | 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)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.300 | 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 | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.740 | 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)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.740 | 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)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.740 | 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)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.740 | 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 | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.80 | 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)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.80 | 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 | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.80 | 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)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.80 | 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 | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic 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]GTPgammaS binding after 6... | 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)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | 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 |
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)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | 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 | 3 | 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)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | 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 | 3.5 | 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)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | 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 | 0.850 | 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 | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | 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 | 3 | 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)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | 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 | 150 | 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)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | 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 | 150 | 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 | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | 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 | 3 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Antagonist activity against human delta opioid receptor expressed in CHO cells assessed as inhibition of SNC80-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 | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50194264 ((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...) | 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 | 3 | 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 |