BDBM50135806 CHEMBL147511::MCL-144::di[17-cyclobutylmethyl-(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl] sebacate
SMILES: O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
InChI Key: InChIKey=LWMXWHIOMHIBJP-SPKNWQAQSA-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)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells | J Med Chem 49: 256-62 (2006) Article DOI: 10.1021/jm050577x BindingDB Entry DOI: 10.7270/Q2HQ40QF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania Curated by ChEMBL | Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane | Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Antagonist activity at human kappa-opioid receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding after 60 mi... | Bioorg Med Chem 19: 2808-16 (2011) Article DOI: 10.1016/j.bmc.2011.03.052 BindingDB Entry DOI: 10.7270/Q2KW5GB1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding | J Med Chem 52: 7389-96 (2009) Article DOI: 10.1021/jm900379p BindingDB Entry DOI: 10.7270/Q29P31Q8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]U-69593 radioligand | J Med Chem 46: 5162-70 (2003) Article DOI: 10.1021/jm030139v BindingDB Entry DOI: 10.7270/Q2GX4C9C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by liquid scintillation counting | J Med Chem 52: 7389-96 (2009) Article DOI: 10.1021/jm900379p BindingDB Entry DOI: 10.7270/Q29P31Q8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibitory activity against Opioid receptor mu 1 in chinese Hamster Ovary (CHO) cells membranes was determined using [3H]-DAMGO radioligand | J Med Chem 46: 5162-70 (2003) Article DOI: 10.1021/jm030139v BindingDB Entry DOI: 10.7270/Q2GX4C9C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells | J Med Chem 49: 256-62 (2006) Article DOI: 10.1021/jm050577x BindingDB Entry DOI: 10.7270/Q2HQ40QF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins b... | Bioorg Med Chem 19: 2808-16 (2011) Article DOI: 10.1016/j.bmc.2011.03.052 BindingDB Entry DOI: 10.7270/Q2KW5GB1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane | Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School 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 19: 2808-16 (2011) Article DOI: 10.1016/j.bmc.2011.03.052 BindingDB Entry DOI: 10.7270/Q2KW5GB1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells | J Med Chem 49: 256-62 (2006) Article DOI: 10.1021/jm050577x BindingDB Entry DOI: 10.7270/Q2HQ40QF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibitory activity against Opioid receptor delta 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]naltrindole radioligand | J Med Chem 46: 5162-70 (2003) Article DOI: 10.1021/jm030139v BindingDB Entry DOI: 10.7270/Q2GX4C9C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by liquid scintillation counting | J Med Chem 52: 7389-96 (2009) Article DOI: 10.1021/jm900379p BindingDB Entry DOI: 10.7270/Q29P31Q8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.850 | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding | J Med Chem 52: 7389-96 (2009) Article DOI: 10.1021/jm900379p BindingDB Entry DOI: 10.7270/Q29P31Q8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibitory activity in stimulating [35S]-GTP-gamma S binding mediated by the Opioid receptor mu 1 in chinese Hamster Ovary (CHO) cell membranes was d... | J Med Chem 46: 5162-70 (2003) Article DOI: 10.1021/jm030139v BindingDB Entry DOI: 10.7270/Q2GX4C9C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.850 | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibitory activity in stimulating [35S]-GTP-gamma S binding mediated by the Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes wa... | J Med Chem 46: 5162-70 (2003) Article DOI: 10.1021/jm030139v BindingDB Entry DOI: 10.7270/Q2GX4C9C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | 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 | 1.30 | n/a | n/a | n/a | n/a |
University of Catania Curated by ChEMBL | Assay Description Partial agonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding | Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | 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 | 0.850 | n/a | n/a | n/a | n/a |
University of Catania Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membrane by [35S]GTP-gammaS binding assay | Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibitory activity was determined in stimulating [35S]-GTP-gamma S binding mediated by the Opioid receptor mu 1 in chinese Hamster Ovary (CHO)membra... | J Med Chem 46: 5162-70 (2003) Article DOI: 10.1021/jm030139v BindingDB Entry DOI: 10.7270/Q2GX4C9C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding | J Med Chem 52: 7389-96 (2009) Article DOI: 10.1021/jm900379p BindingDB Entry DOI: 10.7270/Q29P31Q8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50135806 (CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding | J Med Chem 52: 7389-96 (2009) Article DOI: 10.1021/jm900379p BindingDB Entry DOI: 10.7270/Q29P31Q8 | |||||||||||
More data for this Ligand-Target Pair |