BDBM50180183 1-((-)-N-cyclopropylmethylmorphinan-3-yl) 10-(N-cyclobutylmethylmorphinan-3-yl) sebacoylate::CHEMBL201271

SMILES: O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1

InChI Key: InChIKey=QNRYHDKBHDCJAD-ZTYOUPSCSA-N

Data: 3 KI  2 IC50  1 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 = 50180183   

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))	BDBM50180183 (1-((-)-N-cyclopropylmethylmorphinan-3-yl) 10-(N-cy...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 Show InChI InChI=1S/C51H70N2O4/c54-48(56-40-22-20-38-30-46-42-14-7-9-24-50(42,44(38)32-40)26-28-52(46)34-36-12-11-13-36)16-5-3-1-2-4-6-17-49(55)57-41-23-21-39-31-47-43-15-8-10-25-51(43,45(39)33-41)27-29-53(47)35-37-18-19-37/h20-23,32-33,36-37,42-43,46-47H,1-19,24-31,34-35H2/t42?,43?,46-,47-,50-,51-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50180183 (1-((-)-N-cyclopropylmethylmorphinan-3-yl) 10-(N-cy...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 Show InChI InChI=1S/C51H70N2O4/c54-48(56-40-22-20-38-30-46-42-14-7-9-24-50(42,44(38)32-40)26-28-52(46)34-36-12-11-13-36)16-5-3-1-2-4-6-17-49(55)57-41-23-21-39-31-47-43-15-8-10-25-51(43,45(39)33-41)27-29-53(47)35-37-18-19-37/h20-23,32-33,36-37,42-43,46-47H,1-19,24-31,34-35H2/t42?,43?,46-,47-,50-,51-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50180183 (1-((-)-N-cyclopropylmethylmorphinan-3-yl) 10-(N-cy...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 Show InChI InChI=1S/C51H70N2O4/c54-48(56-40-22-20-38-30-46-42-14-7-9-24-50(42,44(38)32-40)26-28-52(46)34-36-12-11-13-36)16-5-3-1-2-4-6-17-49(55)57-41-23-21-39-31-47-43-15-8-10-25-51(43,45(39)33-41)27-29-53(47)35-37-18-19-37/h20-23,32-33,36-37,42-43,46-47H,1-19,24-31,34-35H2/t42?,43?,46-,47-,50-,51-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	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))	BDBM50180183 (1-((-)-N-cyclopropylmethylmorphinan-3-yl) 10-(N-cy...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 Show InChI InChI=1S/C51H70N2O4/c54-48(56-40-22-20-38-30-46-42-14-7-9-24-50(42,44(38)32-40)26-28-52(46)34-36-12-11-13-36)16-5-3-1-2-4-6-17-49(55)57-41-23-21-39-31-47-43-15-8-10-25-51(43,45(39)33-41)27-29-53(47)35-37-18-19-37/h20-23,32-33,36-37,42-43,46-47H,1-19,24-31,34-35H2/t42?,43?,46-,47-,50-,51-/m1/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	96	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50180183 (1-((-)-N-cyclopropylmethylmorphinan-3-yl) 10-(N-cy...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 Show InChI InChI=1S/C51H70N2O4/c54-48(56-40-22-20-38-30-46-42-14-7-9-24-50(42,44(38)32-40)26-28-52(46)34-36-12-11-13-36)16-5-3-1-2-4-6-17-49(55)57-41-23-21-39-31-47-43-15-8-10-25-51(43,45(39)33-41)27-29-53(47)35-37-18-19-37/h20-23,32-33,36-37,42-43,46-47H,1-19,24-31,34-35H2/t42?,43?,46-,47-,50-,51-/m1/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	2.5	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))	BDBM50180183 (1-((-)-N-cyclopropylmethylmorphinan-3-yl) 10-(N-cy...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 Show InChI InChI=1S/C51H70N2O4/c54-48(56-40-22-20-38-30-46-42-14-7-9-24-50(42,44(38)32-40)26-28-52(46)34-36-12-11-13-36)16-5-3-1-2-4-6-17-49(55)57-41-23-21-39-31-47-43-15-8-10-25-51(43,45(39)33-41)27-29-53(47)35-37-18-19-37/h20-23,32-33,36-37,42-43,46-47H,1-19,24-31,34-35H2/t42?,43?,46-,47-,50-,51-/m1/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	96	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