BDBM50180187 1-phenyl 10-((-)-N-cyclobutylmethylmorphinan-3-yl) sebacoylate::CHEMBL199827

SMILES: O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccccc1

InChI Key: InChIKey=KQRGFLVMMWWNDC-JEDFLWLISA-N

Data: 3 KI  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 5 hits for monomerid = 50180187   

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))	BDBM50180187 (1-phenyl 10-((-)-N-cyclobutylmethylmorphinan-3-yl)...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccccc1 |TLB:28:27:33.16.17:19| Show InChI InChI=1S/C37H49NO4/c39-35(41-30-15-6-5-7-16-30)18-8-3-1-2-4-9-19-36(40)42-31-21-20-29-25-34-32-17-10-11-22-37(32,33(29)26-31)23-24-38(34)27-28-13-12-14-28/h5-7,15-16,20-21,26,28,32,34H,1-4,8-14,17-19,22-25,27H2/t32?,34-,37-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	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))	BDBM50180187 (1-phenyl 10-((-)-N-cyclobutylmethylmorphinan-3-yl)...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccccc1 |TLB:28:27:33.16.17:19| Show InChI InChI=1S/C37H49NO4/c39-35(41-30-15-6-5-7-16-30)18-8-3-1-2-4-9-19-36(40)42-31-21-20-29-25-34-32-17-10-11-22-37(32,33(29)26-31)23-24-38(34)27-28-13-12-14-28/h5-7,15-16,20-21,26,28,32,34H,1-4,8-14,17-19,22-25,27H2/t32?,34-,37-/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	0.440	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))	BDBM50180187 (1-phenyl 10-((-)-N-cyclobutylmethylmorphinan-3-yl)...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccccc1 |TLB:28:27:33.16.17:19| Show InChI InChI=1S/C37H49NO4/c39-35(41-30-15-6-5-7-16-30)18-8-3-1-2-4-9-19-36(40)42-31-21-20-29-25-34-32-17-10-11-22-37(32,33(29)26-31)23-24-38(34)27-28-13-12-14-28/h5-7,15-16,20-21,26,28,32,34H,1-4,8-14,17-19,22-25,27H2/t32?,34-,37-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50180187 (1-phenyl 10-((-)-N-cyclobutylmethylmorphinan-3-yl)...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccccc1 |TLB:28:27:33.16.17:19| Show InChI InChI=1S/C37H49NO4/c39-35(41-30-15-6-5-7-16-30)18-8-3-1-2-4-9-19-36(40)42-31-21-20-29-25-34-32-17-10-11-22-37(32,33(29)26-31)23-24-38(34)27-28-13-12-14-28/h5-7,15-16,20-21,26,28,32,34H,1-4,8-14,17-19,22-25,27H2/t32?,34-,37-/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	3.80	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))	BDBM50180187 (1-phenyl 10-((-)-N-cyclobutylmethylmorphinan-3-yl)...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccccc1 |TLB:28:27:33.16.17:19| Show InChI InChI=1S/C37H49NO4/c39-35(41-30-15-6-5-7-16-30)18-8-3-1-2-4-9-19-36(40)42-31-21-20-29-25-34-32-17-10-11-22-37(32,33(29)26-31)23-24-38(34)27-28-13-12-14-28/h5-7,15-16,20-21,26,28,32,34H,1-4,8-14,17-19,22-25,27H2/t32?,34-,37-/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	n/a	n/a	5.10	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