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BDBM148977 US10512644, Compound Morphine::US8962646, A

SMILES: CN1CC[C@@]23[C@H]4Oc5c2c(CC1C3C=C[C@@H]4O)ccc5O

InChI Key: InChIKey=BQJCRHHNABKAKU-WLMSZDCBSA-N

Data: 6 KI  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 8 hits for monomerid = 148977   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM148977
PNG
(US10512644, Compound Morphine | US8962646, A)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1C3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10?,11?,13-,16-,17-/m0/s1
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US Patent
0.320 -12.9n/an/an/an/an/a7.525



Alkermes, Inc.

US Patent


Assay Description
Receptor Binding (in vitro Assay) The Ki (binding affinity) for mu-, delta-, and kippa-receptors was determined with a previously described method us...


US Patent US8962646 (2015)


BindingDB Entry DOI: 10.7270/Q2C8280V
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM148977
PNG
(US10512644, Compound Morphine | US8962646, A)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1C3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10?,11?,13-,16-,17-/m0/s1
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US Patent
8.44n/an/an/an/an/an/an/an/a



Inheris Pharmaceuticals, Inc.

US Patent


Assay Description
Briefly, serial dilutions of the test compounds were placed in a 96-well plate to which were added SPA beads, membrane and radioligand. The assay con...


US Patent US10512644 (2019)


BindingDB Entry DOI: 10.7270/Q2RN3B8V
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM148977
PNG
(US10512644, Compound Morphine | US8962646, A)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1C3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10?,11?,13-,16-,17-/m0/s1
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US Patent
11 -10.8n/an/an/an/an/a7.525



Alkermes, Inc.

US Patent


Assay Description
Receptor Binding (in vitro Assay) The Ki (binding affinity) for mu-, delta-, and kippa-receptors was determined with a previously described method us...


US Patent US8962646 (2015)


BindingDB Entry DOI: 10.7270/Q2C8280V
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM148977
PNG
(US10512644, Compound Morphine | US8962646, A)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1C3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10?,11?,13-,16-,17-/m0/s1
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US Patent
118n/an/an/an/an/an/an/an/a



Inheris Pharmaceuticals, Inc.

US Patent


Assay Description
Briefly, serial dilutions of the test compounds were placed in a 96-well plate to which were added SPA beads, membrane and radioligand. The assay con...


US Patent US10512644 (2019)


BindingDB Entry DOI: 10.7270/Q2RN3B8V
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM148977
PNG
(US10512644, Compound Morphine | US8962646, A)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1C3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10?,11?,13-,16-,17-/m0/s1
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US Patent
230 -9.05n/an/an/an/an/a7.525



Alkermes, Inc.

US Patent


Assay Description
Receptor Binding (in vitro Assay) The Ki (binding affinity) for mu-, delta-, and kippa-receptors was determined with a previously described method us...


US Patent US8962646 (2015)


BindingDB Entry DOI: 10.7270/Q2C8280V
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM148977
PNG
(US10512644, Compound Morphine | US8962646, A)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1C3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10?,11?,13-,16-,17-/m0/s1
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US Patent
4.30E+3n/an/an/an/an/an/an/an/a



Inheris Pharmaceuticals, Inc.

US Patent


Assay Description
Briefly, serial dilutions of the test compounds were placed in a 96-well plate to which were added SPA beads, membrane and radioligand. The assay con...


US Patent US10512644 (2019)


BindingDB Entry DOI: 10.7270/Q2RN3B8V
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM148977
PNG
(US10512644, Compound Morphine | US8962646, A)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1C3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10?,11?,13-,16-,17-/m0/s1
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US Patent
n/an/an/an/a 624n/an/an/an/a



Inheris Pharmaceuticals, Inc.

US Patent


Assay Description
Briefly, suspensions of cells expressing either the mu, kappa or delta opioid receptors were prepared in buffer containing 0.5 mM isobutyl-methyl xan...


US Patent US10512644 (2019)


BindingDB Entry DOI: 10.7270/Q2RN3B8V
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM148977
PNG
(US10512644, Compound Morphine | US8962646, A)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1C3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10?,11?,13-,16-,17-/m0/s1
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US Patent
n/an/an/an/a 28.5n/an/an/an/a



Inheris Pharmaceuticals, Inc.

US Patent


Assay Description
Briefly, suspensions of cells expressing either the mu, kappa or delta opioid receptors were prepared in buffer containing 0.5 mM isobutyl-methyl xan...


US Patent US10512644 (2019)


BindingDB Entry DOI: 10.7270/Q2RN3B8V
More data for this
Ligand-Target Pair