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Patent code US9480684

Compile Data Set for Download or QSAR
Found 35 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
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50090731
PNG
(CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36?,37-,38-,39-,40-,41-,42-,43+/m0/s1
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US Patent
0.0400n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50090760
PNG
(CHEMBL3581750 | US9259422, 30, R = Ph-BU10119 | US...)
Show SMILES CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H37NO4/c1-28(26(34)20-6-4-3-5-7-20)18-29-12-13-31(28,35-2)27-30(29)14-15-32(17-19-8-9-19)23(29)16-21-10-11-22(33)25(36-27)24(21)30/h3-7,10-11,19,23,26-27,33-34H,8-9,12-18H2,1-2H3/t23-,26-,27-,28-,29-,30+,31+/m1/s1
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US Patent
0.0400n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50090755
PNG
(CHEMBL3581743 | US9259422, 22, R = 4-FPh- BU10120 ...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H34FNO4/c1-28(26(35)19-5-8-21(32)9-6-19)17-29-11-12-31(28,36-2)27-30(29)13-14-33(16-18-3-4-18)23(29)15-20-7-10-22(34)25(37-27)24(20)30/h5-12,18,23,26-27,34-35H,3-4,13-17H2,1-2H3/t23-,26-,27-,28-,29-,30+,31+/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50090694
PNG
(CHEMBL3581740 | US9259422, 22, R = Ph-BU128 | US94...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C19H23N5O4/c1-10(2)11-5-3-4-6-12(11)23-17-14-18(21-8-20-17)24(9-22-14)19-16(27)15(26)13(7-25)28-19/h3-6,8-10,13,15-16,19,25-27H,7H2,1-2H3,(H,20,21,23)/t13?,15?,16?,19-/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50090694
PNG
(CHEMBL3581740 | US9259422, 22, R = Ph-BU128 | US94...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C19H23N5O4/c1-10(2)11-5-3-4-6-12(11)23-17-14-18(21-8-20-17)24(9-22-14)19-16(27)15(26)13(7-25)28-19/h3-6,8-10,13,15-16,19,25-27H,7H2,1-2H3,(H,20,21,23)/t13?,15?,16?,19-/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50015009
PNG
(CHEMBL3262367 | US9259422, 7a, R = 3,5-diMePh- BU1...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cc(C)cc(C)c1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C33H41NO4/c1-19-13-20(2)15-23(14-19)30(3,36)25-17-31-9-10-33(25,37-4)29-32(31)11-12-34(18-21-5-6-21)26(31)16-22-7-8-24(35)28(38-29)27(22)32/h7-8,13-15,21,25-26,29,35-36H,5-6,9-12,16-18H2,1-4H3/t25-,26-,29-,30-,31-,32+,33-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50090760
PNG
(CHEMBL3581750 | US9259422, 30, R = Ph-BU10119 | US...)
Show SMILES CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H37NO4/c1-28(26(34)20-6-4-3-5-7-20)18-29-12-13-31(28,35-2)27-30(29)14-15-32(17-19-8-9-19)23(29)16-21-10-11-22(33)25(36-27)24(21)30/h3-7,10-11,19,23,26-27,33-34H,8-9,12-18H2,1-2H3/t23-,26-,27-,28-,29-,30+,31+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50015011
PNG
(CHEMBL3262363 | US9259422, 7a, 2-MePh- BU10101 | U...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C32H39NO4/c1-19-6-4-5-7-22(19)29(2,35)24-17-30-12-13-32(24,36-3)28-31(30)14-15-33(18-20-8-9-20)25(30)16-21-10-11-23(34)27(37-28)26(21)31/h4-7,10-11,20,24-25,28,34-35H,8-9,12-18H2,1-3H3/t24-,25-,28-,29-,30-,31+,32-/m1/s1
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US Patent
0.160n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50090755
PNG
(CHEMBL3581743 | US9259422, 22, R = 4-FPh- BU10120 ...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H34FNO4/c1-28(26(35)19-5-8-21(32)9-6-19)17-29-11-12-31(28,36-2)27-30(29)13-14-33(16-18-3-4-18)23(29)15-20-7-10-22(34)25(37-27)24(20)30/h5-12,18,23,26-27,34-35H,3-4,13-17H2,1-2H3/t23-,26-,27-,28-,29-,30+,31+/m1/s1
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0.160n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50090731
PNG
(CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36?,37-,38-,39-,40-,41-,42-,43+/m0/s1
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0.170n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50015011
PNG
(CHEMBL3262363 | US9259422, 7a, 2-MePh- BU10101 | U...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C32H39NO4/c1-19-6-4-5-7-22(19)29(2,35)24-17-30-12-13-32(24,36-3)28-31(30)14-15-33(18-20-8-9-20)25(30)16-21-10-11-23(34)27(37-28)26(21)31/h4-7,10-11,20,24-25,28,34-35H,8-9,12-18H2,1-3H3/t24-,25-,28-,29-,30-,31+,32-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50090760
PNG
(CHEMBL3581750 | US9259422, 30, R = Ph-BU10119 | US...)
Show SMILES CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H37NO4/c1-28(26(34)20-6-4-3-5-7-20)18-29-12-13-31(28,35-2)27-30(29)14-15-32(17-19-8-9-19)23(29)16-21-10-11-22(33)25(36-27)24(21)30/h3-7,10-11,19,23,26-27,33-34H,8-9,12-18H2,1-2H3/t23-,26-,27-,28-,29-,30+,31+/m1/s1
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0.25n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50015009
PNG
(CHEMBL3262367 | US9259422, 7a, R = 3,5-diMePh- BU1...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cc(C)cc(C)c1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C33H41NO4/c1-19-13-20(2)15-23(14-19)30(3,36)25-17-31-9-10-33(25,37-4)29-32(31)11-12-34(18-21-5-6-21)26(31)16-22-7-8-24(35)28(38-29)27(22)32/h7-8,13-15,21,25-26,29,35-36H,5-6,9-12,16-18H2,1-4H3/t25-,26-,29-,30-,31-,32+,33-/m1/s1
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0.280n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50090731
PNG
(CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36?,37-,38-,39-,40-,41-,42-,43+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50090755
PNG
(CHEMBL3581743 | US9259422, 22, R = 4-FPh- BU10120 ...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H34FNO4/c1-28(26(35)19-5-8-21(32)9-6-19)17-29-11-12-31(28,36-2)27-30(29)13-14-33(16-18-3-4-18)23(29)15-20-7-10-22(34)25(37-27)24(20)30/h5-12,18,23,26-27,34-35H,3-4,13-17H2,1-2H3/t23-,26-,27-,28-,29-,30+,31+/m1/s1
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US Patent
0.470n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50090694
PNG
(CHEMBL3581740 | US9259422, 22, R = Ph-BU128 | US94...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C19H23N5O4/c1-10(2)11-5-3-4-6-12(11)23-17-14-18(21-8-20-17)24(9-22-14)19-16(27)15(26)13(7-25)28-19/h3-6,8-10,13,15-16,19,25-27H,7H2,1-2H3,(H,20,21,23)/t13?,15?,16?,19-/m0/s1
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0.480n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50015003
PNG
(CHEMBL3262089 | US9259422, 7a, R = Ph-BU127 | US94...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H37NO4/c1-28(34,21-6-4-3-5-7-21)23-17-29-12-13-31(23,35-2)27-30(29)14-15-32(18-19-8-9-19)24(29)16-20-10-11-22(33)26(36-27)25(20)30/h3-7,10-11,19,23-24,27,33-34H,8-9,12-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1
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0.490n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM206331
PNG
(US9259422, 23, R = Ph-BU129 | US9480684, 23, R = P...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@]1(C)[C@@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H35NO4/c1-28(26(34)20-6-4-3-5-7-20)18-29-12-13-31(28,35-2)27-30(29)14-15-32(17-19-8-9-19)23(29)16-21-10-11-22(33)25(36-27)24(21)30/h3-7,10-13,19,23,26-27,33-34H,8-9,14-18H2,1-2H3/t23-,26+,27-,28-,29-,30+,31+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50015004
PNG
(CHEMBL3262372 | US9259422, 7a, R = 2-thienyl- BU08...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cccs1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C29H35NO4S/c1-26(32,22-4-3-13-35-22)20-15-27-9-10-29(20,33-2)25-28(27)11-12-30(16-17-5-6-17)21(27)14-18-7-8-19(31)24(34-25)23(18)28/h3-4,7-8,13,17,20-21,25,31-32H,5-6,9-12,14-16H2,1-2H3/t20-,21-,25-,26+,27-,28+,29-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50015003
PNG
(CHEMBL3262089 | US9259422, 7a, R = Ph-BU127 | US94...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H37NO4/c1-28(34,21-6-4-3-5-7-21)23-17-29-12-13-31(23,35-2)27-30(29)14-15-32(18-19-8-9-19)24(29)16-20-10-11-22(33)26(36-27)25(20)30/h3-7,10-11,19,23-24,27,33-34H,8-9,12-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1
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0.710n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM206331
PNG
(US9259422, 23, R = Ph-BU129 | US9480684, 23, R = P...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@]1(C)[C@@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H35NO4/c1-28(26(34)20-6-4-3-5-7-20)18-29-12-13-31(28,35-2)27-30(29)14-15-32(17-19-8-9-19)23(29)16-21-10-11-22(33)25(36-27)24(21)30/h3-7,10-13,19,23,26-27,33-34H,8-9,14-18H2,1-2H3/t23-,26+,27-,28-,29-,30+,31+/m1/s1
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1.08n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50014995
PNG
(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C30H35NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-10,18,21,23,25,27,32-33H,7-8,11-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1
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1.25n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50015003
PNG
(CHEMBL3262089 | US9259422, 7a, R = Ph-BU127 | US94...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H37NO4/c1-28(34,21-6-4-3-5-7-21)23-17-29-12-13-31(23,35-2)27-30(29)14-15-32(18-19-8-9-19)24(29)16-20-10-11-22(33)26(36-27)25(20)30/h3-7,10-11,19,23-24,27,33-34H,8-9,12-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1
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1.91n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50014995
PNG
(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C30H35NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-10,18,21,23,25,27,32-33H,7-8,11-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1
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2.55n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM206331
PNG
(US9259422, 23, R = Ph-BU129 | US9480684, 23, R = P...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@]1(C)[C@@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H35NO4/c1-28(26(34)20-6-4-3-5-7-20)18-29-12-13-31(28,35-2)27-30(29)14-15-32(17-19-8-9-19)23(29)16-21-10-11-22(33)25(36-27)24(21)30/h3-7,10-13,19,23,26-27,33-34H,8-9,14-18H2,1-2H3/t23-,26+,27-,28-,29-,30+,31+/m1/s1
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3.02n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50015005
PNG
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1
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3.21n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50015005
PNG
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1
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3.84n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50015005
PNG
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1
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4.03n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50014995
PNG
(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C30H35NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-10,18,21,23,25,27,32-33H,7-8,11-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1
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4.40n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50090755
PNG
(CHEMBL3581743 | US9259422, 22, R = 4-FPh- BU10120 ...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H34FNO4/c1-28(26(35)19-5-8-21(32)9-6-19)17-29-11-12-31(28,36-2)27-30(29)13-14-33(16-18-3-4-18)23(29)15-20-7-10-22(34)25(37-27)24(20)30/h5-12,18,23,26-27,34-35H,3-4,13-17H2,1-2H3/t23-,26-,27-,28-,29-,30+,31+/m1/s1
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34n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50015004
PNG
(CHEMBL3262372 | US9259422, 7a, R = 2-thienyl- BU08...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cccs1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C29H35NO4S/c1-26(32,22-4-3-13-35-22)20-15-27-9-10-29(20,33-2)25-28(27)11-12-30(16-17-5-6-17)21(27)14-18-7-8-19(31)24(34-25)23(18)28/h3-4,7-8,13,17,20-21,25,31-32H,5-6,9-12,14-16H2,1-2H3/t20-,21-,25-,26+,27-,28+,29-/m1/s1
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34.5n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50015003
PNG
(CHEMBL3262089 | US9259422, 7a, R = Ph-BU127 | US94...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H37NO4/c1-28(34,21-6-4-3-5-7-21)23-17-29-12-13-31(23,35-2)27-30(29)14-15-32(18-19-8-9-19)24(29)16-20-10-11-22(33)26(36-27)25(20)30/h3-7,10-11,19,23-24,27,33-34H,8-9,12-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1
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43.2n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50090731
PNG
(CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36?,37-,38-,39-,40-,41-,42-,43+/m0/s1
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US Patent
79n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50090760
PNG
(CHEMBL3581750 | US9259422, 30, R = Ph-BU10119 | US...)
Show SMILES CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H37NO4/c1-28(26(34)20-6-4-3-5-7-20)18-29-12-13-31(28,35-2)27-30(29)14-15-32(17-19-8-9-19)23(29)16-21-10-11-22(33)25(36-27)24(21)30/h3-7,10-11,19,23,26-27,33-34H,8-9,12-18H2,1-2H3/t23-,26-,27-,28-,29-,30+,31+/m1/s1
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US Patent
80n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50090694
PNG
(CHEMBL3581740 | US9259422, 22, R = Ph-BU128 | US94...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C19H23N5O4/c1-10(2)11-5-3-4-6-12(11)23-17-14-18(21-8-20-17)24(9-22-14)19-16(27)15(26)13(7-25)28-19/h3-6,8-10,13,15-16,19,25-27H,7H2,1-2H3,(H,20,21,23)/t13?,15?,16?,19-/m0/s1
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US Patent
97n/an/an/an/an/an/an/an/a



The University of Bath

US Patent


Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%