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Patent code US8962646

Compile Data Set for Download or QSAR
Found 38 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM148986
PNG
(US8962646, 8)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2cn[nH]c2)c(O)c31 |r|
PDB

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US Patent
0.150 -56.1n/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 |r,c:16,TLB:17:9:12:1.3.2,7:8:12:1.3.2|
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 -54.2n/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))
BDBM148978
PNG
(US8962646, B)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2ccccc2)c(O)c31 |r|
Show InChI InChI=1S/C32H34N2O4/c1-34-18-16-31-20-25(35)13-15-32(31,38)27(34)19-24-11-12-26(29(36)28(24)31)30(37)33-17-14-21-7-9-23(10-8-21)22-5-3-2-4-6-22/h2-12,27,36,38H,13-20H2,1H3,(H,33,37)/t27-,31-,32-/m1/s1
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US Patent
0.390 -53.7n/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))
BDBM148988
PNG
(US8962646, 10)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2cc[nH]c(=O)c2)c(O)c31 |r|
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US Patent
0.430 -53.5n/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))
BDBM148985
PNG
(US8962646, 7)
Show SMILES CO[C@@]12CCC(=O)C[C@@]11CCN(C)[C@@H]2Cc2ccc(C(=O)NCCc3ccc(cc3)-c3c[nH]c(=O)[nH]c3=O)c(O)c12 |r|
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US Patent
0.520 -53.0n/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))
BDBM148981
PNG
(US8962646, 3)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2ccc(=O)[nH]c2)c(O)c31 |r|
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US Patent
0.630 -52.5n/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))
BDBM148980
PNG
(US8962646, 2)
Show SMILES Oc1c(ccc2C[C@H]3N(CCc4ccccc4)CC[C@@]4(CC(=O)CC[C@@]34O)c12)C(=O)NCCc1ccc(cc1)-c1c[nH]c(=O)[nH]c1=O |r|
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US Patent
0.660 -52.4n/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))
BDBM148978
PNG
(US8962646, B)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2ccccc2)c(O)c31 |r|
Show InChI InChI=1S/C32H34N2O4/c1-34-18-16-31-20-25(35)13-15-32(31,38)27(34)19-24-11-12-26(29(36)28(24)31)30(37)33-17-14-21-7-9-23(10-8-21)22-5-3-2-4-6-22/h2-12,27,36,38H,13-20H2,1H3,(H,33,37)/t27-,31-,32-/m1/s1
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US Patent
0.710 -52.2n/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))
BDBM148982
PNG
(US8962646, 4)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2cnc(O)nc2O)c(O)c31 |r|
Show InChI InChI=1S/C30H32N4O6/c1-34-13-11-29-15-20(35)8-10-30(29,40)23(34)14-19-6-7-21(25(36)24(19)29)26(37)31-12-9-17-2-4-18(5-3-17)22-16-32-28(39)33-27(22)38/h2-7,16,23,36,40H,8-15H2,1H3,(H,31,37)(H2,32,33,38,39)/t23-,29-,30-/m1/s1
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US Patent
1.30 -50.7n/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))
BDBM148989
PNG
(US8962646, 11)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2cnc(=O)[nH]c2)c(O)c31 |r|
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US Patent
1.60 -50.2n/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))
BDBM148987
PNG
(US8962646, 9)
Show SMILES CN1CC[C@]23CC(=O)CCC2[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c31 |r|
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US Patent
1.70 -50.1n/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))
BDBM148983
PNG
(US8962646, 5)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2c[nH]c(=O)[nH]c2=O)c(O)c31 |r|
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US Patent
1.70 -50.1n/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))
BDBM148986
PNG
(US8962646, 8)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2cn[nH]c2)c(O)c31 |r|
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US Patent
2.10 -49.5n/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))
BDBM148984
PNG
(US8962646, 6)
Show SMILES CN1CC[C@]23CC(=C)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2c[nH]c(=O)[nH]c2=O)c(O)c31 |r|
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US Patent
3.5 -48.3n/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))
BDBM148978
PNG
(US8962646, B)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2ccccc2)c(O)c31 |r|
Show InChI InChI=1S/C32H34N2O4/c1-34-18-16-31-20-25(35)13-15-32(31,38)27(34)19-24-11-12-26(29(36)28(24)31)30(37)33-17-14-21-7-9-23(10-8-21)22-5-3-2-4-6-22/h2-12,27,36,38H,13-20H2,1H3,(H,33,37)/t27-,31-,32-/m1/s1
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US Patent
5.40 -47.2n/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))
BDBM148988
PNG
(US8962646, 10)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2cc[nH]c(=O)c2)c(O)c31 |r|
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US Patent
10 -45.7n/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 |r,c:16,TLB:17:9:12:1.3.2,7:8:12:1.3.2|
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 -45.4n/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))
BDBM148981
PNG
(US8962646, 3)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2ccc(=O)[nH]c2)c(O)c31 |r|
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US Patent
17 -44.3n/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))
BDBM148986
PNG
(US8962646, 8)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2cn[nH]c2)c(O)c31 |r|
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US Patent
19 -44.1n/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))
BDBM148980
PNG
(US8962646, 2)
Show SMILES Oc1c(ccc2C[C@H]3N(CCc4ccccc4)CC[C@@]4(CC(=O)CC[C@@]34O)c12)C(=O)NCCc1ccc(cc1)-c1c[nH]c(=O)[nH]c1=O |r|
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US Patent
24 -43.5n/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))
BDBM148979
PNG
(US8962646, 1)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c31 |r|
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US Patent
27 -43.2n/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))
BDBM148985
PNG
(US8962646, 7)
Show SMILES CO[C@@]12CCC(=O)C[C@@]11CCN(C)[C@@H]2Cc2ccc(C(=O)NCCc3ccc(cc3)-c3c[nH]c(=O)[nH]c3=O)c(O)c12 |r|
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US Patent
42 -42.1n/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))
BDBM148983
PNG
(US8962646, 5)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2c[nH]c(=O)[nH]c2=O)c(O)c31 |r|
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US Patent
51 -41.6n/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))
BDBM148984
PNG
(US8962646, 6)
Show SMILES CN1CC[C@]23CC(=C)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2c[nH]c(=O)[nH]c2=O)c(O)c31 |r|
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97 -40.0n/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))
BDBM148988
PNG
(US8962646, 10)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2cc[nH]c(=O)c2)c(O)c31 |r|
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140 -39.1n/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))
BDBM148981
PNG
(US8962646, 3)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2ccc(=O)[nH]c2)c(O)c31 |r|
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US Patent
180 -38.5n/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))
BDBM148982
PNG
(US8962646, 4)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2cnc(O)nc2O)c(O)c31 |r|
Show InChI InChI=1S/C30H32N4O6/c1-34-13-11-29-15-20(35)8-10-30(29,40)23(34)14-19-6-7-21(25(36)24(19)29)26(37)31-12-9-17-2-4-18(5-3-17)22-16-32-28(39)33-27(22)38/h2-7,16,23,36,40H,8-15H2,1H3,(H,31,37)(H2,32,33,38,39)/t23-,29-,30-/m1/s1
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US Patent
190 -38.4n/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 |r,c:16,TLB:17:9:12:1.3.2,7:8:12:1.3.2|
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 -37.9n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM148987
PNG
(US8962646, 9)
Show SMILES CN1CC[C@]23CC(=O)CCC2[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c31 |r|
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280 -37.4n/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))
BDBM148987
PNG
(US8962646, 9)
Show SMILES CN1CC[C@]23CC(=O)CCC2[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c31 |r|
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US Patent
400 -36.5n/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))
BDBM148979
PNG
(US8962646, 1)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c31 |r|
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490 -36.0n/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))
BDBM148983
PNG
(US8962646, 5)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2c[nH]c(=O)[nH]c2=O)c(O)c31 |r|
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680 -35.2n/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))
BDBM148979
PNG
(US8962646, 1)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c31 |r|
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850 -34.6n/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))
BDBM148985
PNG
(US8962646, 7)
Show SMILES CO[C@@]12CCC(=O)C[C@@]11CCN(C)[C@@H]2Cc2ccc(C(=O)NCCc3ccc(cc3)-c3c[nH]c(=O)[nH]c3=O)c(O)c12 |r|
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US Patent
860 -34.6n/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))
BDBM148989
PNG
(US8962646, 11)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2cnc(=O)[nH]c2)c(O)c31 |r|
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US Patent
>1.00E+3>-34.2n/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))
BDBM148982
PNG
(US8962646, 4)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2cnc(O)nc2O)c(O)c31 |r|
Show InChI InChI=1S/C30H32N4O6/c1-34-13-11-29-15-20(35)8-10-30(29,40)23(34)14-19-6-7-21(25(36)24(19)29)26(37)31-12-9-17-2-4-18(5-3-17)22-16-32-28(39)33-27(22)38/h2-7,16,23,36,40H,8-15H2,1H3,(H,31,37)(H2,32,33,38,39)/t23-,29-,30-/m1/s1
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US Patent
>1.00E+3>-34.2n/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))
BDBM148980
PNG
(US8962646, 2)
Show SMILES Oc1c(ccc2C[C@H]3N(CCc4ccccc4)CC[C@@]4(CC(=O)CC[C@@]34O)c12)C(=O)NCCc1ccc(cc1)-c1c[nH]c(=O)[nH]c1=O |r|
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US Patent
>1.00E+3>-34.2n/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))
BDBM148984
PNG
(US8962646, 6)
Show SMILES CN1CC[C@]23CC(=C)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2c[nH]c(=O)[nH]c2=O)c(O)c31 |r|
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1.00E+3 -34.2n/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
* indicates data uncertainty>20%