BDBM50343625 (-)-17-N-Cyclobutylmethyl)morphinan-3-yl-(-)-14-hydroxyl-17-N-cyclobutylmethyl-morphinan-3-yl-decanedioate::CHEMBL1774949

SMILES: O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc12

InChI Key: InChIKey=GPYPKJSWTUPINZ-MXCPSUOYSA-N

Data: 3 KI  2 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 7 hits for monomerid = 50343625   

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))	BDBM50343625 ((-)-17-N-Cyclobutylmethyl)morphinan-3-yl-(-)-14-hy...) Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc12 |r,TLB:10:9:17.58.16:1| Show InChI InChI=1S/C52H72N2O5/c55-48(58-41-22-20-39-31-46-43-17-7-8-24-50(43,44(39)33-41)27-29-53(46)35-37-13-11-14-37)18-5-3-1-2-4-6-19-49(56)59-42-23-21-40-32-47-52(57)26-10-9-25-51(52,45(40)34-42)28-30-54(47)36-38-15-12-16-38/h20-23,33-34,37-38,43,46-47,57H,1-19,24-32,35-36H2/t43-,46+,47+,50+,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	0.0730	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]U69563 from human kappa-opioid receptor expressed in CHO cells after 60 mins 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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50343625 ((-)-17-N-Cyclobutylmethyl)morphinan-3-yl-(-)-14-hy...) Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc12 |r,TLB:10:9:17.58.16:1| Show InChI InChI=1S/C52H72N2O5/c55-48(58-41-22-20-39-31-46-43-17-7-8-24-50(43,44(39)33-41)27-29-53(46)35-37-13-11-14-37)18-5-3-1-2-4-6-19-49(56)59-42-23-21-40-32-47-52(57)26-10-9-25-51(52,45(40)34-42)28-30-54(47)36-38-15-12-16-38/h20-23,33-34,37-38,43,46-47,57H,1-19,24-32,35-36H2/t43-,46+,47+,50+,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	0.0890	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 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))	BDBM50343625 ((-)-17-N-Cyclobutylmethyl)morphinan-3-yl-(-)-14-hy...) Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc12 |r,TLB:10:9:17.58.16:1| Show InChI InChI=1S/C52H72N2O5/c55-48(58-41-22-20-39-31-46-43-17-7-8-24-50(43,44(39)33-41)27-29-53(46)35-37-13-11-14-37)18-5-3-1-2-4-6-19-49(56)59-42-23-21-40-32-47-52(57)26-10-9-25-51(52,45(40)34-42)28-30-54(47)36-38-15-12-16-38/h20-23,33-34,37-38,43,46-47,57H,1-19,24-32,35-36H2/t43-,46+,47+,50+,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	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50343625 ((-)-17-N-Cyclobutylmethyl)morphinan-3-yl-(-)-14-hy...) Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc12 |r,TLB:10:9:17.58.16:1| Show InChI InChI=1S/C52H72N2O5/c55-48(58-41-22-20-39-31-46-43-17-7-8-24-50(43,44(39)33-41)27-29-53(46)35-37-13-11-14-37)18-5-3-1-2-4-6-19-49(56)59-42-23-21-40-32-47-52(57)26-10-9-25-51(52,45(40)34-42)28-30-54(47)36-38-15-12-16-38/h20-23,33-34,37-38,43,46-47,57H,1-19,24-32,35-36H2/t43-,46+,47+,50+,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	1.20	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 after 60 mins by scintillation ...				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))	BDBM50343625 ((-)-17-N-Cyclobutylmethyl)morphinan-3-yl-(-)-14-hy...) Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc12 |r,TLB:10:9:17.58.16:1| Show InChI InChI=1S/C52H72N2O5/c55-48(58-41-22-20-39-31-46-43-17-7-8-24-50(43,44(39)33-41)27-29-53(46)35-37-13-11-14-37)18-5-3-1-2-4-6-19-49(56)59-42-23-21-40-32-47-52(57)26-10-9-25-51(52,45(40)34-42)28-30-54(47)36-38-15-12-16-38/h20-23,33-34,37-38,43,46-47,57H,1-19,24-32,35-36H2/t43-,46+,47+,50+,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	3.40	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50343625 ((-)-17-N-Cyclobutylmethyl)morphinan-3-yl-(-)-14-hy...) Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc12 |r,TLB:10:9:17.58.16:1| Show InChI InChI=1S/C52H72N2O5/c55-48(58-41-22-20-39-31-46-43-17-7-8-24-50(43,44(39)33-41)27-29-53(46)35-37-13-11-14-37)18-5-3-1-2-4-6-19-49(56)59-42-23-21-40-32-47-52(57)26-10-9-25-51(52,45(40)34-42)28-30-54(47)36-38-15-12-16-38/h20-23,33-34,37-38,43,46-47,57H,1-19,24-32,35-36H2/t43-,46+,47+,50+,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	0.840	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 after 60 mins by scintillati...				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))	BDBM50343625 ((-)-17-N-Cyclobutylmethyl)morphinan-3-yl-(-)-14-hy...) Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc12 |r,TLB:10:9:17.58.16:1| Show InChI InChI=1S/C52H72N2O5/c55-48(58-41-22-20-39-31-46-43-17-7-8-24-50(43,44(39)33-41)27-29-53(46)35-37-13-11-14-37)18-5-3-1-2-4-6-19-49(56)59-42-23-21-40-32-47-52(57)26-10-9-25-51(52,45(40)34-42)28-30-54(47)36-38-15-12-16-38/h20-23,33-34,37-38,43,46-47,57H,1-19,24-32,35-36H2/t43-,46+,47+,50+,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	3.70	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