BDBM50180182 CHEMBL369919::bis-((-)-N-[(S)-tetrahydrofurfuryl]morphinan-3-yl) sebacoylate

SMILES: O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1

InChI Key: InChIKey=XPVQMCQVPCFYJK-LHQHLCNUSA-N

Data: 3 KI  1 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50180182   

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))	BDBM50180182 (CHEMBL369919 | bis-((-)-N-[(S)-tetrahydrofurfuryl]...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1 Show InChI InChI=1S/C52H72N2O6/c55-49(59-39-21-19-37-31-47-43-15-7-9-23-51(43,45(37)33-39)25-27-53(47)35-41-13-11-29-57-41)17-5-3-1-2-4-6-18-50(56)60-40-22-20-38-32-48-44-16-8-10-24-52(44,46(38)34-40)26-28-54(48)36-42-14-12-30-58-42/h19-22,33-34,41-44,47-48H,1-18,23-32,35-36H2/t41-,42-,43?,44?,47+,48+,51+,52+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50180182 (CHEMBL369919 | bis-((-)-N-[(S)-tetrahydrofurfuryl]...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1 Show InChI InChI=1S/C52H72N2O6/c55-49(59-39-21-19-37-31-47-43-15-7-9-23-51(43,45(37)33-39)25-27-53(47)35-41-13-11-29-57-41)17-5-3-1-2-4-6-18-50(56)60-40-22-20-38-32-48-44-16-8-10-24-52(44,46(38)34-40)26-28-54(48)36-42-14-12-30-58-42/h19-22,33-34,41-44,47-48H,1-18,23-32,35-36H2/t41-,42-,43?,44?,47+,48+,51+,52+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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]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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50180182 (CHEMBL369919 | bis-((-)-N-[(S)-tetrahydrofurfuryl]...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1 Show InChI InChI=1S/C52H72N2O6/c55-49(59-39-21-19-37-31-47-43-15-7-9-23-51(43,45(37)33-39)25-27-53(47)35-41-13-11-29-57-41)17-5-3-1-2-4-6-18-50(56)60-40-22-20-38-32-48-44-16-8-10-24-52(44,46(38)34-40)26-28-54(48)36-42-14-12-30-58-42/h19-22,33-34,41-44,47-48H,1-18,23-32,35-36H2/t41-,42-,43?,44?,47+,48+,51+,52+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50180182 (CHEMBL369919 | bis-((-)-N-[(S)-tetrahydrofurfuryl]...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1 Show InChI InChI=1S/C52H72N2O6/c55-49(59-39-21-19-37-31-47-43-15-7-9-23-51(43,45(37)33-39)25-27-53(47)35-41-13-11-29-57-41)17-5-3-1-2-4-6-18-50(56)60-40-22-20-38-32-48-44-16-8-10-24-52(44,46(38)34-40)26-28-54(48)36-42-14-12-30-58-42/h19-22,33-34,41-44,47-48H,1-18,23-32,35-36H2/t41-,42-,43?,44?,47+,48+,51+,52+/m0/s1	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	12	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				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))	BDBM50180182 (CHEMBL369919 | bis-((-)-N-[(S)-tetrahydrofurfuryl]...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1 Show InChI InChI=1S/C52H72N2O6/c55-49(59-39-21-19-37-31-47-43-15-7-9-23-51(43,45(37)33-39)25-27-53(47)35-41-13-11-29-57-41)17-5-3-1-2-4-6-18-50(56)60-40-22-20-38-32-48-44-16-8-10-24-52(44,46(38)34-40)26-28-54(48)36-42-14-12-30-58-42/h19-22,33-34,41-44,47-48H,1-18,23-32,35-36H2/t41-,42-,43?,44?,47+,48+,51+,52+/m0/s1	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	8.80	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50180182 (CHEMBL369919 | bis-((-)-N-[(S)-tetrahydrofurfuryl]...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1 Show InChI InChI=1S/C52H72N2O6/c55-49(59-39-21-19-37-31-47-43-15-7-9-23-51(43,45(37)33-39)25-27-53(47)35-41-13-11-29-57-41)17-5-3-1-2-4-6-18-50(56)60-40-22-20-38-32-48-44-16-8-10-24-52(44,46(38)34-40)26-28-54(48)36-42-14-12-30-58-42/h19-22,33-34,41-44,47-48H,1-18,23-32,35-36H2/t41-,42-,43?,44?,47+,48+,51+,52+/m0/s1	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	360	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				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