BDBM50135802 (1R,9R,10R)-17-(cyclobutylmethyl)-4-(4-{[(1R,9R,10R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2,4,6-trien-4-yl]oxy}butoxy)-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2,4,6-triene::1,4-di[17-cyclobutylmethyl-(9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yloxy]butane::CHEMBL348023::MCL-153::MCL-154

SMILES: C(CCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1

InChI Key: InChIKey=FETCHTUKZYXAPU-DODYBPFYSA-N

Data: 6 KI

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 = 50135802   

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))	BDBM50135802 ((1R,9R,10R)-17-(cyclobutylmethyl)-4-(4-{[(1R,9R,10...) Show SMILES C(CCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C46H64N2O2/c1-3-19-45-21-23-47(31-33-9-7-10-33)43(39(45)13-1)27-35-15-17-37(29-41(35)45)49-25-5-6-26-50-38-18-16-36-28-44-40-14-2-4-20-46(40,42(36)30-38)22-24-48(44)32-34-11-8-12-34/h15-18,29-30,33-34,39-40,43-44H,1-14,19-28,31-32H2/t39-,40-,43+,44+,45+,46+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 1507-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.101 BindingDB Entry DOI: 10.7270/Q2251JBF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50135802 ((1R,9R,10R)-17-(cyclobutylmethyl)-4-(4-{[(1R,9R,10...) Show SMILES C(CCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C46H64N2O2/c1-3-19-45-21-23-47(31-33-9-7-10-33)43(39(45)13-1)27-35-15-17-37(29-41(35)45)49-25-5-6-26-50-38-18-16-36-28-44-40-14-2-4-20-46(40,42(36)30-38)22-24-48(44)32-34-11-8-12-34/h15-18,29-30,33-34,39-40,43-44H,1-14,19-28,31-32H2/t39-,40-,43+,44+,45+,46+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]U-69593 radioligand				J Med Chem 46: 5162-70 (2003) Article DOI: 10.1021/jm030139v BindingDB Entry DOI: 10.7270/Q2GX4C9C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50135802 ((1R,9R,10R)-17-(cyclobutylmethyl)-4-(4-{[(1R,9R,10...) Show SMILES C(CCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C46H64N2O2/c1-3-19-45-21-23-47(31-33-9-7-10-33)43(39(45)13-1)27-35-15-17-37(29-41(35)45)49-25-5-6-26-50-38-18-16-36-28-44-40-14-2-4-20-46(40,42(36)30-38)22-24-48(44)32-34-11-8-12-34/h15-18,29-30,33-34,39-40,43-44H,1-14,19-28,31-32H2/t39-,40-,43+,44+,45+,46+/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	29	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 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 1507-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.101 BindingDB Entry DOI: 10.7270/Q2251JBF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50135802 ((1R,9R,10R)-17-(cyclobutylmethyl)-4-(4-{[(1R,9R,10...) Show SMILES C(CCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C46H64N2O2/c1-3-19-45-21-23-47(31-33-9-7-10-33)43(39(45)13-1)27-35-15-17-37(29-41(35)45)49-25-5-6-26-50-38-18-16-36-28-44-40-14-2-4-20-46(40,42(36)30-38)22-24-48(44)32-34-11-8-12-34/h15-18,29-30,33-34,39-40,43-44H,1-14,19-28,31-32H2/t39-,40-,43+,44+,45+,46+/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	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Opioid receptor mu 1 in chinese Hamster Ovary (CHO) cells membranes was determined using [3H]-DAMGO radioligand				J Med Chem 46: 5162-70 (2003) Article DOI: 10.1021/jm030139v BindingDB Entry DOI: 10.7270/Q2GX4C9C
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50135802 ((1R,9R,10R)-17-(cyclobutylmethyl)-4-(4-{[(1R,9R,10...) Show SMILES C(CCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C46H64N2O2/c1-3-19-45-21-23-47(31-33-9-7-10-33)43(39(45)13-1)27-35-15-17-37(29-41(35)45)49-25-5-6-26-50-38-18-16-36-28-44-40-14-2-4-20-46(40,42(36)30-38)22-24-48(44)32-34-11-8-12-34/h15-18,29-30,33-34,39-40,43-44H,1-14,19-28,31-32H2/t39-,40-,43+,44+,45+,46+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Opioid receptor delta 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]naltrindole radioligand				J Med Chem 46: 5162-70 (2003) Article DOI: 10.1021/jm030139v BindingDB Entry DOI: 10.7270/Q2GX4C9C
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50135802 ((1R,9R,10R)-17-(cyclobutylmethyl)-4-(4-{[(1R,9R,10...) Show SMILES C(CCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C46H64N2O2/c1-3-19-45-21-23-47(31-33-9-7-10-33)43(39(45)13-1)27-35-15-17-37(29-41(35)45)49-25-5-6-26-50-38-18-16-36-28-44-40-14-2-4-20-46(40,42(36)30-38)22-24-48(44)32-34-11-8-12-34/h15-18,29-30,33-34,39-40,43-44H,1-14,19-28,31-32H2/t39-,40-,43+,44+,45+,46+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	730	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 cell membranes after 3 hrs by scintillation counting				Bioorg Med Chem Lett 20: 1507-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.101 BindingDB Entry DOI: 10.7270/Q2251JBF
					More data for this Ligand-Target Pair