BDBM50343630 Bis((-)-3-aminothiazolo-N-cyclopropylmethylmorphinan)sebacamide::CHEMBL1774951

SMILES O=C(CCCCCCCCC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1

InChI Key InChIKey=GAWCJLWAXWTECZ-LGHBVLBESA-N

Data  3 KI  2 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50343630   

TargetKappa-type opioid receptor(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50343630(Bis((-)-3-aminothiazolo-N-cyclopropylmethylmorphin...)
Show SMILES O=C(CCCCCCCCC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1
Show InChI InChI=1S/C52H68N6O2S2/c59-47(55-49-53-41-29-39-35(27-45(41)61-49)25-43-37-11-7-9-19-51(37,39)21-23-57(43)31-33-15-16-33)13-5-3-1-2-4-6-14-48(60)56-50-54-42-30-40-36(28-46(42)62-50)26-44-38-12-8-10-20-52(38,40)22-24-58(44)32-34-17-18-34/h27-30,33-34,37-38,43-44H,1-26,31-32H2,(H,53,55,59)(H,54,56,60)/t37-,38-,43+,44+,51+,52+/m0/s1
Affinity DataKi:  0.370nMAssay Description:Displacement of [3H]U69563 from human kappa-opioid receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50343630(Bis((-)-3-aminothiazolo-N-cyclopropylmethylmorphin...)
Show SMILES O=C(CCCCCCCCC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1
Show InChI InChI=1S/C52H68N6O2S2/c59-47(55-49-53-41-29-39-35(27-45(41)61-49)25-43-37-11-7-9-19-51(37,39)21-23-57(43)31-33-15-16-33)13-5-3-1-2-4-6-14-48(60)56-50-54-42-30-40-36(28-46(42)62-50)26-44-38-12-8-10-20-52(38,40)22-24-58(44)32-34-17-18-34/h27-30,33-34,37-38,43-44H,1-26,31-32H2,(H,53,55,59)(H,54,56,60)/t37-,38-,43+,44+,51+,52+/m0/s1
Affinity DataKi:  8.80nMAssay Description:Displacement of [3H]DAMGO from human mu-opioid receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50343630(Bis((-)-3-aminothiazolo-N-cyclopropylmethylmorphin...)
Show SMILES O=C(CCCCCCCCC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1
Show InChI InChI=1S/C52H68N6O2S2/c59-47(55-49-53-41-29-39-35(27-45(41)61-49)25-43-37-11-7-9-19-51(37,39)21-23-57(43)31-33-15-16-33)13-5-3-1-2-4-6-14-48(60)56-50-54-42-30-40-36(28-46(42)62-50)26-44-38-12-8-10-20-52(38,40)22-24-58(44)32-34-17-18-34/h27-30,33-34,37-38,43-44H,1-26,31-32H2,(H,53,55,59)(H,54,56,60)/t37-,38-,43+,44+,51+,52+/m0/s1
Affinity DataKi:  170nMAssay Description:Displacement of [3H]naltrindole from human delta-opioid receptor expressed in CHO cells after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50343630(Bis((-)-3-aminothiazolo-N-cyclopropylmethylmorphin...)
Show SMILES O=C(CCCCCCCCC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1
Show InChI InChI=1S/C52H68N6O2S2/c59-47(55-49-53-41-29-39-35(27-45(41)61-49)25-43-37-11-7-9-19-51(37,39)21-23-57(43)31-33-15-16-33)13-5-3-1-2-4-6-14-48(60)56-50-54-42-30-40-36(28-46(42)62-50)26-44-38-12-8-10-20-52(38,40)22-24-58(44)32-34-17-18-34/h27-30,33-34,37-38,43-44H,1-26,31-32H2,(H,53,55,59)(H,54,56,60)/t37-,38-,43+,44+,51+,52+/m0/s1
Affinity DataEC50:  5.5nMAssay Description:Agonist activity at human kappa-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillati...More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50343630(Bis((-)-3-aminothiazolo-N-cyclopropylmethylmorphin...)
Show SMILES O=C(CCCCCCCCC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1
Show InChI InChI=1S/C52H68N6O2S2/c59-47(55-49-53-41-29-39-35(27-45(41)61-49)25-43-37-11-7-9-19-51(37,39)21-23-57(43)31-33-15-16-33)13-5-3-1-2-4-6-14-48(60)56-50-54-42-30-40-36(28-46(42)62-50)26-44-38-12-8-10-20-52(38,40)22-24-58(44)32-34-17-18-34/h27-30,33-34,37-38,43-44H,1-26,31-32H2,(H,53,55,59)(H,54,56,60)/t37-,38-,43+,44+,51+,52+/m0/s1
Affinity DataEC50:  130nMAssay Description:Agonist activity at human mu-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation ...More data for this Ligand-Target Pair