BDBM50135804 CHEMBL424328::di[17-cyclobutylmethyl-(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl] dodecanedioate

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

InChI Key: InChIKey=WFMQFEDXEBTDHZ-NTASORKHSA-N

Data: 3 KI  1 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 5 hits for monomerid = 50135804   

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))	BDBM50135804 (CHEMBL424328 | di[17-cyclobutylmethyl-(1R,9R,10R)-...) Show SMILES O=C(CCCCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C54H76N2O4/c57-51(59-43-25-23-41-33-49-45-19-9-11-27-53(45,47(41)35-43)29-31-55(49)37-39-15-13-16-39)21-7-5-3-1-2-4-6-8-22-52(58)60-44-26-24-42-34-50-46-20-10-12-28-54(46,48(42)36-44)30-32-56(50)38-40-17-14-18-40/h23-26,35-36,39-40,45-46,49-50H,1-22,27-34,37-38H2/t45-,46-,49+,50+,53+,54+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	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))	BDBM50135804 (CHEMBL424328 | di[17-cyclobutylmethyl-(1R,9R,10R)-...) Show SMILES O=C(CCCCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C54H76N2O4/c57-51(59-43-25-23-41-33-49-45-19-9-11-27-53(45,47(41)35-43)29-31-55(49)37-39-15-13-16-39)21-7-5-3-1-2-4-6-8-22-52(58)60-44-26-24-42-34-50-46-20-10-12-28-54(46,48(42)36-44)30-32-56(50)38-40-17-14-18-40/h23-26,35-36,39-40,45-46,49-50H,1-22,27-34,37-38H2/t45-,46-,49+,50+,53+,54+/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	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description 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))	BDBM50135804 (CHEMBL424328 | di[17-cyclobutylmethyl-(1R,9R,10R)-...) Show SMILES O=C(CCCCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C54H76N2O4/c57-51(59-43-25-23-41-33-49-45-19-9-11-27-53(45,47(41)35-43)29-31-55(49)37-39-15-13-16-39)21-7-5-3-1-2-4-6-8-22-52(58)60-44-26-24-42-34-50-46-20-10-12-28-54(46,48(42)36-44)30-32-56(50)38-40-17-14-18-40/h23-26,35-36,39-40,45-46,49-50H,1-22,27-34,37-38H2/t45-,46-,49+,50+,53+,54+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50135804 (CHEMBL424328 | di[17-cyclobutylmethyl-(1R,9R,10R)-...) Show SMILES O=C(CCCCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C54H76N2O4/c57-51(59-43-25-23-41-33-49-45-19-9-11-27-53(45,47(41)35-43)29-31-55(49)37-39-15-13-16-39)21-7-5-3-1-2-4-6-8-22-52(58)60-44-26-24-42-34-50-46-20-10-12-28-54(46,48(42)36-44)30-32-56(50)38-40-17-14-18-40/h23-26,35-36,39-40,45-46,49-50H,1-22,27-34,37-38H2/t45-,46-,49+,50+,53+,54+/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	100	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity was determined in stimulating [35S]-GTP-gamma S binding mediated by the Opioid receptor mu 1 in chinese Hamster Ovary (CHO)membra...				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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50135804 (CHEMBL424328 | di[17-cyclobutylmethyl-(1R,9R,10R)-...) Show SMILES O=C(CCCCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C54H76N2O4/c57-51(59-43-25-23-41-33-49-45-19-9-11-27-53(45,47(41)35-43)29-31-55(49)37-39-15-13-16-39)21-7-5-3-1-2-4-6-8-22-52(58)60-44-26-24-42-34-50-46-20-10-12-28-54(46,48(42)36-44)30-32-56(50)38-40-17-14-18-40/h23-26,35-36,39-40,45-46,49-50H,1-22,27-34,37-38H2/t45-,46-,49+,50+,53+,54+/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	8.10	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity in stimulating [35S]-GTP-gamma S binding mediated by the Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes wa...				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