null

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

InChI Key: InChIKey=JMSLPWMQABBNIP-SYTGOYKNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50180180   

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))	BDBM50180180 (CHEMBL381750 | bis-((-)-N-cyclobutylmethylmorphina...) Show SMILES O=C(Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)\C=C\C=C\C(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C48H60N2O4/c51-45(53-37-19-17-35-27-43-39-13-3-5-21-47(39,41(35)29-37)23-25-49(43)31-33-9-7-10-33)15-1-2-16-46(52)54-38-20-18-36-28-44-40-14-4-6-22-48(40,42(36)30-38)24-26-50(44)32-34-11-8-12-34/h1-2,15-20,29-30,33-34,39-40,43-44H,3-14,21-28,31-32H2/b15-1+,16-2+/t39?,40?,43-,44-,47-,48-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.620	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))	BDBM50180180 (CHEMBL381750 | bis-((-)-N-cyclobutylmethylmorphina...) Show SMILES O=C(Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)\C=C\C=C\C(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C48H60N2O4/c51-45(53-37-19-17-35-27-43-39-13-3-5-21-47(39,41(35)29-37)23-25-49(43)31-33-9-7-10-33)15-1-2-16-46(52)54-38-20-18-36-28-44-40-14-4-6-22-48(40,42(36)30-38)24-26-50(44)32-34-11-8-12-34/h1-2,15-20,29-30,33-34,39-40,43-44H,3-14,21-28,31-32H2/b15-1+,16-2+/t39?,40?,43-,44-,47-,48-/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	2.80	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))	BDBM50180180 (CHEMBL381750 | bis-((-)-N-cyclobutylmethylmorphina...) Show SMILES O=C(Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)\C=C\C=C\C(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C48H60N2O4/c51-45(53-37-19-17-35-27-43-39-13-3-5-21-47(39,41(35)29-37)23-25-49(43)31-33-9-7-10-33)15-1-2-16-46(52)54-38-20-18-36-28-44-40-14-4-6-22-48(40,42(36)30-38)24-26-50(44)32-34-11-8-12-34/h1-2,15-20,29-30,33-34,39-40,43-44H,3-14,21-28,31-32H2/b15-1+,16-2+/t39?,40?,43-,44-,47-,48-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	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))	BDBM50180180 (CHEMBL381750 | bis-((-)-N-cyclobutylmethylmorphina...) Show SMILES O=C(Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)\C=C\C=C\C(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C48H60N2O4/c51-45(53-37-19-17-35-27-43-39-13-3-5-21-47(39,41(35)29-37)23-25-49(43)31-33-9-7-10-33)15-1-2-16-46(52)54-38-20-18-36-28-44-40-14-4-6-22-48(40,42(36)30-38)24-26-50(44)32-34-11-8-12-34/h1-2,15-20,29-30,33-34,39-40,43-44H,3-14,21-28,31-32H2/b15-1+,16-2+/t39?,40?,43-,44-,47-,48-/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	17	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))	BDBM50180180 (CHEMBL381750 | bis-((-)-N-cyclobutylmethylmorphina...) Show SMILES O=C(Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)\C=C\C=C\C(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C48H60N2O4/c51-45(53-37-19-17-35-27-43-39-13-3-5-21-47(39,41(35)29-37)23-25-49(43)31-33-9-7-10-33)15-1-2-16-46(52)54-38-20-18-36-28-44-40-14-4-6-22-48(40,42(36)30-38)24-26-50(44)32-34-11-8-12-34/h1-2,15-20,29-30,33-34,39-40,43-44H,3-14,21-28,31-32H2/b15-1+,16-2+/t39?,40?,43-,44-,47-,48-/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	19	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