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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 354.4
BDBM133985		Wt: 341.4
BDBM133995		Wt: 341.4
BDBM133996		Wt: 364.4
BDBM133912		Wt: 369.4
BDBM18576
Wt: 374.5
BDBM177916		Wt: 359.5
BDBM177911		Wt: 360.4
BDBM177903		Wt: 374.5
BDBM177928		Wt: 346.4
BDBM177930
Wt: 373.5
BDBM177931		Wt: 373.5
BDBM177935		Wt: 364.4
BDBM177951Purchase		Wt: 373.5
BDBM177955		Wt: 369.5
BDBM172408
Displayed 1 to 15 (of 439 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 50 hits in this display   
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
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))		BDBM177911
PNG
(US9120797, 10 | US9120797, 9)
Show SMILES CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)|
Show InChI InChI=1S/C24H29N3/c1-27(2)24(18-8-4-3-5-9-18)15-13-23(14-16-24)22-20(12-17-25-23)19-10-6-7-11-21(19)26-22/h3-11,25-26H,12-17H2,1-2H3
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 0.260 -54.7n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))		BDBM177903
PNG
(US9120797, 1 | US9120797, 2 | US9120797, 3)
Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)|
Show InChI InChI=1S/C24H28N2O/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22/h3-11,25H,12-17H2,1-2H3
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 0.300 -54.4n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM177911
PNG
(US9120797, 10 | US9120797, 9)
Show SMILES CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)|
Show InChI InChI=1S/C24H29N3/c1-27(2)24(18-8-4-3-5-9-18)15-13-23(14-16-24)22-20(12-17-25-23)19-10-6-7-11-21(19)26-22/h3-11,25-26H,12-17H2,1-2H3
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 0.360 -53.9n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM177935
PNG
(US9120797, 33)
Show SMILES CC1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)N1 |(-3.98,-3.6,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;-.9,-.93,;-.13,-2.26,;1.41,-2.26,;2.18,-.93,;1.41,.4,;-.13,.4,;3.27,.16,;4.75,-.24,;2.87,1.65,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,;-1.67,-2.26,)|
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 0.5 -53.1n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))		BDBM177935
PNG
(US9120797, 33)
Show SMILES CC1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)N1 |(-3.98,-3.6,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;-.9,-.93,;-.13,-2.26,;1.41,-2.26,;2.18,-.93,;1.41,.4,;-.13,.4,;3.27,.16,;4.75,-.24,;2.87,1.65,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,;-1.67,-2.26,)|
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 0.5 -53.1n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM177955
PNG
(US9120797, 53)
Show SMILES CN(C)C1(Cc2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccccc12 |(3.6,-.91,;2.11,-.51,;1.71,.98,;1.02,-1.6,;1.79,-2.93,;3.33,-2.93,;4.1,-4.26,;5.64,-4.26,;6.41,-2.93,;5.64,-1.6,;4.1,-1.6,;.25,-2.93,;-1.29,-2.93,;-2.06,-1.6,;-1.29,-.26,;.25,-.26,;-2.83,-2.93,;-4.37,-2.93,;-5.14,-1.6,;-4.37,-.26,;-2.83,-.26,;-2.35,1.2,;-3.6,2.11,;-3.76,3.64,;-5.17,4.26,;-6.41,3.36,;-6.25,1.83,;-4.84,1.2,)|
Show InChI InChI=1S/C25H31N3/c1-28(2)24(18-19-8-4-3-5-9-19)13-15-25(16-14-24)23-21(12-17-26-25)20-10-6-7-11-22(20)27-23/h3-11,26-27H,12-18H2,1-2H3
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 0.600 -52.6n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM177903
PNG
(US9120797, 1 | US9120797, 2 | US9120797, 3)
Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)|
Show InChI InChI=1S/C24H28N2O/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22/h3-11,25H,12-17H2,1-2H3
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 0.600 -52.6n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))		BDBM177903
PNG
(US9120797, 1 | US9120797, 2 | US9120797, 3)
Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)|
Show InChI InChI=1S/C24H28N2O/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22/h3-11,25H,12-17H2,1-2H3
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 0.600 -52.6n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))		BDBM177955
PNG
(US9120797, 53)
Show SMILES CN(C)C1(Cc2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccccc12 |(3.6,-.91,;2.11,-.51,;1.71,.98,;1.02,-1.6,;1.79,-2.93,;3.33,-2.93,;4.1,-4.26,;5.64,-4.26,;6.41,-2.93,;5.64,-1.6,;4.1,-1.6,;.25,-2.93,;-1.29,-2.93,;-2.06,-1.6,;-1.29,-.26,;.25,-.26,;-2.83,-2.93,;-4.37,-2.93,;-5.14,-1.6,;-4.37,-.26,;-2.83,-.26,;-2.35,1.2,;-3.6,2.11,;-3.76,3.64,;-5.17,4.26,;-6.41,3.36,;-6.25,1.83,;-4.84,1.2,)|
Show InChI InChI=1S/C25H31N3/c1-28(2)24(18-19-8-4-3-5-9-19)13-15-25(16-14-24)23-21(12-17-26-25)20-10-6-7-11-22(20)27-23/h3-11,26-27H,12-18H2,1-2H3
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 1.10 -51.1n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM177930
PNG
(US9120797, 28)
Show SMILES CNC1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)|
Show InChI InChI=1S/C23H26N2O/c1-24-22(17-7-3-2-4-8-17)12-14-23(15-13-22)21-19(11-16-26-23)18-9-5-6-10-20(18)25-21/h2-10,24-25H,11-16H2,1H3
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 1.20 -50.9n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))		BDBM177916
PNG
(US9120797, 14 | US9120797, 15)
Show SMILES CC1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)O1 |(-3.98,-3.6,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;-.9,-.93,;-.13,-2.26,;1.41,-2.26,;2.18,-.93,;1.41,.4,;-.13,.4,;3.27,.16,;4.75,-.24,;2.87,1.65,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,;-1.67,-2.26,)|
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 1.20 -50.9n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM177903
PNG
(US9120797, 1 | US9120797, 2 | US9120797, 3)
Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)|
Show InChI InChI=1S/C24H28N2O/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22/h3-11,25H,12-17H2,1-2H3
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 1.30 -50.7n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))		BDBM177930
PNG
(US9120797, 28)
Show SMILES CNC1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)|
Show InChI InChI=1S/C23H26N2O/c1-24-22(17-7-3-2-4-8-17)12-14-23(15-13-22)21-19(11-16-26-23)18-9-5-6-10-20(18)25-21/h2-10,24-25H,11-16H2,1H3
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 1.40 -50.5n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM177928
PNG
(US9120797, 26)
Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccc(C)cc12)c1ccccc1 |(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)|
Show InChI InChI=1S/C25H30N2O/c1-18-9-10-22-21(17-18)20-11-16-28-25(23(20)26-22)14-12-24(13-15-25,27(2)3)19-7-5-4-6-8-19/h4-10,17,26H,11-16H2,1-3H3
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 2.70 -48.9n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))		BDBM177911
PNG
(US9120797, 10 | US9120797, 9)
Show SMILES CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)|
Show InChI InChI=1S/C24H29N3/c1-27(2)24(18-8-4-3-5-9-18)15-13-23(14-16-24)22-20(12-17-25-23)19-10-6-7-11-21(19)26-22/h3-11,25-26H,12-17H2,1-2H3
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 3.40 -48.3n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM177911
PNG
(US9120797, 10 | US9120797, 9)
Show SMILES CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)|
Show InChI InChI=1S/C24H29N3/c1-27(2)24(18-8-4-3-5-9-18)15-13-23(14-16-24)22-20(12-17-25-23)19-10-6-7-11-21(19)26-22/h3-11,25-26H,12-17H2,1-2H3
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 4.5 -47.6n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))		BDBM177928
PNG
(US9120797, 26)
Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccc(C)cc12)c1ccccc1 |(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)|
Show InChI InChI=1S/C25H30N2O/c1-18-9-10-22-21(17-18)20-11-16-28-25(23(20)26-22)14-12-24(13-15-25,27(2)3)19-7-5-4-6-8-19/h4-10,17,26H,11-16H2,1-3H3
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 4.5 -47.6n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM177951
PNG
(US9120797, 49)
Show SMILES CNC1(CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |(5.5,-.24,;4.01,.16,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)|
Show InChI InChI=1S/C23H25FN2O/c1-25-22(16-5-3-2-4-6-16)10-12-23(13-11-22)21-18(9-14-27-23)19-15-17(24)7-8-20(19)26-21/h2-8,15,25-26H,9-14H2,1H3
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 6.80 -46.6n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM172408
PNG
(US9090618, ZA27 | US9598411, Ref. No. ZA27)
Show SMILES NC(=O)\N=c1/[nH]c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C21H31N5O/c22-20(27)24-21-23-18-10-6-7-11-19(18)26(21)17-12-14-25(15-13-17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H3,22,23,24,27)
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 10n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
ORL-1 Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like receptor (ORL-1) (Recepto...

US Patent US9598411 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6V9S
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))		BDBM177951
PNG
(US9120797, 49)
Show SMILES CNC1(CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |(5.5,-.24,;4.01,.16,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)|
Show InChI InChI=1S/C23H25FN2O/c1-25-22(16-5-3-2-4-6-16)10-12-23(13-11-22)21-18(9-14-27-23)19-15-17(24)7-8-20(19)26-21/h2-8,15,25-26H,9-14H2,1H3
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 10 -45.7n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM177916
PNG
(US9120797, 14 | US9120797, 15)
Show SMILES CC1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)O1 |(-3.98,-3.6,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;-.9,-.93,;-.13,-2.26,;1.41,-2.26,;2.18,-.93,;1.41,.4,;-.13,.4,;3.27,.16,;4.75,-.24,;2.87,1.65,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,;-1.67,-2.26,)|
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 12 -45.2n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM177931
PNG
(US9120797, 29)
Show SMILES CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccc(C)cc12)c1ccccc1 |(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)|
Show InChI InChI=1S/C25H31N3/c1-18-9-10-22-21(17-18)20-11-16-26-24(23(20)27-22)12-14-25(15-13-24,28(2)3)19-7-5-4-6-8-19/h4-10,17,26-27H,11-16H2,1-3H3
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 15 -44.7n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))		BDBM133985
PNG
(US8846929, 15)
Show SMILES Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C21H30N4O/c22-20-21(26)25(19-11-7-6-10-18(19)23-20)17-12-14-24(15-13-17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H2,22,23)
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 15.4n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...

US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))		BDBM133912
PNG
(US8846929, 88)
Show SMILES O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)C#N
Show InChI InChI=1S/C22H28N4O/c23-16-20-22(27)26(21-11-7-6-10-19(21)24-20)18-12-14-25(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-15H2
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 20.8n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...

US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))		BDBM177931
PNG
(US9120797, 29)
Show SMILES CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccc(C)cc12)c1ccccc1 |(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)|
Show InChI InChI=1S/C25H31N3/c1-18-9-10-22-21(17-18)20-11-16-26-24(23(20)27-22)12-14-25(15-13-24,28(2)3)19-7-5-4-6-8-19/h4-10,17,26-27H,11-16H2,1-3H3
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 32 -42.8n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM172408
PNG
(US9090618, ZA27 | US9598411, Ref. No. ZA27)
Show SMILES NC(=O)\N=c1/[nH]c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C21H31N5O/c22-20(27)24-21-23-18-10-6-7-11-19(18)26(21)17-12-14-25(15-13-17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H3,22,23,24,27)
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 33.7n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4-0.8 nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 μg membrane protein (recombinant kappa opioid re...

US Patent US9090618 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CGB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM172408
PNG
(US9090618, ZA27 | US9598411, Ref. No. ZA27)
Show SMILES NC(=O)\N=c1/[nH]c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C21H31N5O/c22-20(27)24-21-23-18-10-6-7-11-19(18)26(21)17-12-14-25(15-13-17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H3,22,23,24,27)
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 33.7n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand binding assays were conducted using freshly thawed membranes expressing human μ-rec...

US Patent US9598411 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6V9S
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))		BDBM172408
PNG
(US9090618, ZA27 | US9598411, Ref. No. ZA27)
Show SMILES NC(=O)\N=c1/[nH]c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C21H31N5O/c22-20(27)24-21-23-18-10-6-7-11-19(18)26(21)17-12-14-25(15-13-17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H3,22,23,24,27)
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 36.7 -42.4n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a fin...

US Patent US9090618 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CGB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM172408
PNG
(US9090618, ZA27 | US9598411, Ref. No. ZA27)
Show SMILES NC(=O)\N=c1/[nH]c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C21H31N5O/c22-20(27)24-21-23-18-10-6-7-11-19(18)26(21)17-12-14-25(15-13-17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H3,22,23,24,27)
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 36.7n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#...

US Patent US9598411 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6V9S
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))		BDBM177916
PNG
(US9120797, 14 | US9120797, 15)
Show SMILES CC1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)O1 |(-3.98,-3.6,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;-.9,-.93,;-.13,-2.26,;1.41,-2.26,;2.18,-.93,;1.41,.4,;-.13,.4,;3.27,.16,;4.75,-.24,;2.87,1.65,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,;-1.67,-2.26,)|
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 42 -42.1n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM177916
PNG
(US9120797, 14 | US9120797, 15)
Show SMILES CC1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)O1 |(-3.98,-3.6,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;-.9,-.93,;-.13,-2.26,;1.41,-2.26,;2.18,-.93,;1.41,.4,;-.13,.4,;3.27,.16,;4.75,-.24,;2.87,1.65,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,;-1.67,-2.26,)|
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 58 -41.3n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM133996
PNG
(US8846929, 86)
Show SMILES O=C1CN(C2CCN(CC2)C2CCCCCCC2)c2ccccc2N1
Show InChI InChI=1S/C21H31N3O/c25-21-16-24(20-11-7-6-10-19(20)22-21)18-12-14-23(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-16H2,(H,22,25)
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 83.5n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4-0.8nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 ug membrane protein (recombinant kappa opioid receptor...

US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))		BDBM133995
PNG
(US8846929, 85)
Show SMILES O=C1CNc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C21H31N3O/c25-21-16-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18,22H,1-5,8-9,12-16H2
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 92.2n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...

US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM133985
PNG
(US8846929, 15)
Show SMILES Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C21H30N4O/c22-20-21(26)25(19-11-7-6-10-18(19)23-20)17-12-14-24(15-13-17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H2,22,23)
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 92.9n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4-0.8nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 ug membrane protein (recombinant kappa opioid receptor...

US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))		BDBM133996
PNG
(US8846929, 86)
Show SMILES O=C1CN(C2CCN(CC2)C2CCCCCCC2)c2ccccc2N1
Show InChI InChI=1S/C21H31N3O/c25-21-16-24(20-11-7-6-10-19(20)22-21)18-12-14-23(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-16H2,(H,22,25)
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 179n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...

US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM133995
PNG
(US8846929, 85)
Show SMILES O=C1CNc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C21H31N3O/c25-21-16-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18,22H,1-5,8-9,12-16H2
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 182n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4-0.8nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 ug membrane protein (recombinant kappa opioid receptor...

US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM177903
PNG
(US9120797, 1 | US9120797, 2 | US9120797, 3)
Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)|
Show InChI InChI=1S/C24H28N2O/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22/h3-11,25H,12-17H2,1-2H3
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 310 -37.1n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...

US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM172408
PNG
(US9090618, ZA27 | US9598411, Ref. No. ZA27)
Show SMILES NC(=O)\N=c1/[nH]c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C21H31N5O/c22-20(27)24-21-23-18-10-6-7-11-19(18)26(21)17-12-14-25(15-13-17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H3,22,23,24,27)
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 339 -36.9n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays were conducted using freshly thawed membranes expressing human mu-receptors (Perkin Elmer, Shelton, Conn.). Radioligand do...

US Patent US9090618 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CGB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM172408
PNG
(US9090618, ZA27 | US9598411, Ref. No. ZA27)
Show SMILES NC(=O)\N=c1/[nH]c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C21H31N5O/c22-20(27)24-21-23-18-10-6-7-11-19(18)26(21)17-12-14-25(15-13-17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H3,22,23,24,27)
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 339n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
κ-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kappa opioid receptor (kappa) (cloned ...

US Patent US9598411 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6V9S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM133912
PNG
(US8846929, 88)
Show SMILES O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)C#N
Show InChI InChI=1S/C22H28N4O/c23-16-20-22(27)26(21-11-7-6-10-19(21)24-20)18-12-14-25(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-15H2
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 536n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4-0.8nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 ug membrane protein (recombinant kappa opioid receptor...

US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM133985
PNG
(US8846929, 15)
Show SMILES Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C21H30N4O/c22-20-21(26)25(19-11-7-6-10-18(19)23-20)17-12-14-24(15-13-17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H2,22,23)
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 1.20E+3n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose-displacement binding assays for u-opioid receptors used 0.2nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20mg membrane protein/w...

US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM133912
PNG
(US8846929, 88)
Show SMILES O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)C#N
Show InChI InChI=1S/C22H28N4O/c23-16-20-22(27)26(21-11-7-6-10-19(21)24-20)18-12-14-25(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-15H2
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 1.66E+3n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose-displacement binding assays for u-opioid receptors used 0.2nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20mg membrane protein/w...

US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))		BDBM18576
PNG
(US8846929, 365)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C(CC)CC |r,TLB:10:7:24:2.3|
Show InChI InChI=1S/C21H27N3O3/c1-3-13(4-2)23-14-9-10-15(23)12-16(11-14)24-18-8-6-5-7-17(18)22-19(20(24)25)21(26)27/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27)/t14-,15+,16+
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 1.83E+3n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...

US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM133995
PNG
(US8846929, 85)
Show SMILES O=C1CNc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C21H31N3O/c25-21-16-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18,22H,1-5,8-9,12-16H2
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 4.09E+3n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose-displacement binding assays for u-opioid receptors used 0.2nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20mg membrane protein/w...

US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM133996
PNG
(US8846929, 86)
Show SMILES O=C1CN(C2CCN(CC2)C2CCCCCCC2)c2ccccc2N1
Show InChI InChI=1S/C21H31N3O/c25-21-16-24(20-11-7-6-10-19(20)22-21)18-12-14-23(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-16H2,(H,22,25)
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 6.76E+3n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose-displacement binding assays for u-opioid receptors used 0.2nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20mg membrane protein/w...

US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM133996
PNG
(US8846929, 86)
Show SMILES O=C1CN(C2CCN(CC2)C2CCCCCCC2)c2ccccc2N1
Show InChI InChI=1S/C21H31N3O/c25-21-16-24(20-11-7-6-10-19(20)22-21)18-12-14-23(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-16H2,(H,22,25)
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 9.67E+3n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose-displacement assays used 0.2nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20ug membrane protein (recombinant delta opioid recepto...

US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM172408
PNG
(US9090618, ZA27 | US9598411, Ref. No. ZA27)
Show SMILES NC(=O)\N=c1/[nH]c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C21H31N5O/c22-20(27)24-21-23-18-10-6-7-11-19(18)26(21)17-12-14-25(15-13-17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H3,22,23,24,27)
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US Patent
 1.03E+4n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 μg membrane protein (recombinant delta opioid ...

US Patent US9090618 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CGB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM133912
PNG
(US8846929, 88)
Show SMILES O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)C#N
Show InChI InChI=1S/C22H28N4O/c23-16-20-22(27)26(21-11-7-6-10-19(21)24-20)18-12-14-25(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-15H2
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US Patent
 1.56E+4n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose-displacement assays used 0.2nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20ug membrane protein (recombinant delta opioid recepto...

US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM133995
PNG
(US8846929, 85)
Show SMILES O=C1CNc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C21H31N3O/c25-21-16-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18,22H,1-5,8-9,12-16H2
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US Patent
 1.79E+4n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose-displacement assays used 0.2nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20ug membrane protein (recombinant delta opioid recepto...

US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM133985
PNG
(US8846929, 15)
Show SMILES Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C21H30N4O/c22-20-21(26)25(19-11-7-6-10-18(19)23-20)17-12-14-24(15-13-17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H2,22,23)
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US Patent
 2.46E+4n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose-displacement assays used 0.2nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20ug membrane protein (recombinant delta opioid recepto...

US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair