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PubMed code 21330016

Compile data set for download or QSAR
Found 96 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
Nociceptin receptor


(Homo sapiens (Human))
BDBM21844
PNG
(8-[(1R,3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-y...)
Show SMILES [H][C@@]12CCCc3cccc([C@@H](CC1)N1CCC4(CC1)N(CNC4=O)c1ccccc1)c23 |r|
Show InChI InChI=1S/C26H31N3O/c30-25-26(29(18-27-25)21-9-2-1-3-10-21)14-16-28(17-15-26)23-13-12-20-7-4-6-19-8-5-11-22(23)24(19)20/h1-3,5,8-11,20,23H,4,6-7,12-18H2,(H,27,30)/t20-,23-/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340708
PNG
(3-(9-(dimethylamino)nonyl)-8-(4-isopropylcyclohexy...)
Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CN(CCCCCCCCCN(C)C)C2=O)c1ccccc1 |r,wU:6.9,3.2,(13.12,-7.89,;13.88,-9.22,;13.1,-10.55,;15.42,-9.23,;16.2,-7.9,;17.74,-7.9,;18.5,-9.25,;17.72,-10.58,;16.18,-10.56,;20.04,-9.26,;20.8,-10.61,;22.33,-10.62,;23.12,-9.3,;22.36,-7.95,;20.81,-7.93,;23.88,-10.63,;25.38,-10.31,;25.55,-8.79,;26.88,-8.02,;28.21,-8.8,;29.55,-8.03,;30.88,-8.8,;32.22,-8.04,;33.55,-8.8,;34.89,-8.03,;36.22,-8.8,;37.55,-8.02,;38.89,-8.79,;38.89,-10.33,;40.22,-8.02,;24.15,-8.16,;23.83,-6.66,;23.26,-12.03,;21.72,-12.19,;21.09,-13.59,;21.99,-14.84,;23.53,-14.68,;24.16,-13.27,)|
Show InChI InChI=1S/C33H56N4O/c1-28(2)29-17-19-30(20-18-29)35-25-21-33(22-26-35)32(38)36(27-37(33)31-15-11-10-12-16-31)24-14-9-7-5-6-8-13-23-34(3)4/h10-12,15-16,28-30H,5-9,13-14,17-27H2,1-4H3/t29-,30+
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n/an/a 5.5n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340707
PNG
(CHEMBL1762371)
Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CN(CCCCCCCCCN1CN(c3ccccc3)C3(CCN(CC3)[C@@H]3CC[C@@H](CC3)C(C)C)C1=O)C2=O)c1ccccc1 |r,wU:42.45,45.52,6.9,3.2,(-6.97,3.8,;-6.2,2.46,;-6.98,1.13,;-4.66,2.46,;-3.89,3.78,;-2.35,3.78,;-1.59,2.44,;-2.37,1.11,;-3.91,1.12,;-.05,2.43,;.71,1.08,;2.24,1.07,;3.03,2.39,;2.27,3.74,;.73,3.75,;3.8,1.06,;5.3,1.37,;5.46,2.9,;6.8,3.67,;8.13,2.89,;9.46,3.66,;10.8,2.88,;12.13,3.65,;13.47,2.88,;14.8,3.66,;16.13,2.89,;17.47,3.67,;18.8,2.9,;18.97,1.37,;20.47,1.06,;21.09,-.34,;22.63,-.5,;23.26,-1.9,;22.36,-3.15,;20.82,-2.99,;20.19,-1.58,;21.23,2.39,;22.02,1.07,;23.55,1.08,;24.31,2.43,;23.54,3.75,;21.99,3.74,;25.85,2.44,;26.63,1.11,;28.17,1.12,;28.93,2.46,;28.15,3.78,;26.61,3.78,;30.47,2.46,;31.23,3.8,;31.24,1.13,;20.2,3.53,;20.52,5.03,;4.06,3.53,;3.75,5.03,;3.17,-.34,;1.64,-.5,;1,-1.9,;1.91,-3.15,;3.45,-2.99,;4.07,-1.58,)|
Show InChI InChI=1S/C53H82N6O2/c1-42(2)44-22-26-46(27-23-44)54-36-30-52(31-37-54)50(60)56(40-58(52)48-18-12-10-13-19-48)34-16-8-6-5-7-9-17-35-57-41-59(49-20-14-11-15-21-49)53(51(57)61)32-38-55(39-33-53)47-28-24-45(25-29-47)43(3)4/h10-15,18-21,42-47H,5-9,16-17,22-41H2,1-4H3/t44-,45-,46+,47+
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n/an/a 25.2n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340691
PNG
(CHEMBL1762387 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C59H64N8O4/c1-40-32-54(60)52-34-46(22-28-56(52)64-40)66-58(68)50-16-10-8-14-44(50)38-70-48-24-18-42(19-25-48)36-62-30-12-6-4-3-5-7-13-31-63-37-43-20-26-49(27-21-43)71-39-45-15-9-11-17-51(45)59(69)67-47-23-29-57-53(35-47)55(61)33-41(2)65-57/h8-11,14-29,32-35,62-63H,3-7,12-13,30-31,36-39H2,1-2H3,(H2,60,64)(H2,61,65)(H,66,68)(H,67,69)
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n/an/a 28.1n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094634
PNG
(CHEMBL140979 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
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n/an/a 30n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340689
PNG
(CHEMBL1762385 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C57H60N8O4/c1-38-30-52(58)50-32-44(20-26-54(50)62-38)64-56(66)48-14-8-6-12-42(48)36-68-46-22-16-40(17-23-46)34-60-28-10-4-3-5-11-29-61-35-41-18-24-47(25-19-41)69-37-43-13-7-9-15-49(43)57(67)65-45-21-27-55-51(33-45)53(59)31-39(2)63-55/h6-9,12-27,30-33,60-61H,3-5,10-11,28-29,34-37H2,1-2H3,(H2,58,62)(H2,59,63)(H,64,66)(H,65,67)
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n/an/a 30.1n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340690
PNG
(CHEMBL1762386 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C58H62N8O4/c1-39-31-53(59)51-33-45(21-27-55(51)63-39)65-57(67)49-15-9-7-13-43(49)37-69-47-23-17-41(18-24-47)35-61-29-11-5-3-4-6-12-30-62-36-42-19-25-48(26-20-42)70-38-44-14-8-10-16-50(44)58(68)66-46-22-28-56-52(34-46)54(60)32-40(2)64-56/h7-10,13-28,31-34,61-62H,3-6,11-12,29-30,35-38H2,1-2H3,(H2,59,63)(H2,60,64)(H,65,67)(H,66,68)
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n/an/a 31.6n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340692
PNG
(CHEMBL1762388 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C60H66N8O4/c1-41-33-55(61)53-35-47(23-29-57(53)65-41)67-59(69)51-17-11-9-15-45(51)39-71-49-25-19-43(20-26-49)37-63-31-13-7-5-3-4-6-8-14-32-64-38-44-21-27-50(28-22-44)72-40-46-16-10-12-18-52(46)60(70)68-48-24-30-58-54(36-48)56(62)34-42(2)66-58/h9-12,15-30,33-36,63-64H,3-8,13-14,31-32,37-40H2,1-2H3,(H2,61,65)(H2,62,66)(H,67,69)(H,68,70)
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n/an/a 32.7n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340710
PNG
((E,E)-N,N'-bis[[4-[[2-[[(4-amino-2-methylquinolin-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(\C=N\CCCC\N=C\c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C54H50N8O4/c1-35-27-49(55)47-29-41(17-23-51(47)59-35)61-53(63)45-11-5-3-9-39(45)33-65-43-19-13-37(14-20-43)31-57-25-7-8-26-58-32-38-15-21-44(22-16-38)66-34-40-10-4-6-12-46(40)54(64)62-42-18-24-52-48(30-42)50(56)28-36(2)60-52/h3-6,9-24,27-32H,7-8,25-26,33-34H2,1-2H3,(H2,55,59)(H2,56,60)(H,61,63)(H,62,64)/b57-31+,58-32+
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n/an/a 35.6n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340709
PNG
((E,E)-N,N'-bis[[4-[[2-[[(4-amino-2-methylquinolin-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(\C=N\CCC\N=C\c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C53H48N8O4/c1-34-26-48(54)46-28-40(16-22-50(46)58-34)60-52(62)44-10-5-3-8-38(44)32-64-42-18-12-36(13-19-42)30-56-24-7-25-57-31-37-14-20-43(21-15-37)65-33-39-9-4-6-11-45(39)53(63)61-41-17-23-51-47(29-41)49(55)27-35(2)59-51/h3-6,8-23,26-31H,7,24-25,32-33H2,1-2H3,(H2,54,58)(H2,55,59)(H,60,62)(H,61,63)/b56-30+,57-31+
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n/an/a 48n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340711
PNG
((E,E)-N,N'-bis[[4-[[2-[[(4-amino-2-methylquinolin-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(\C=N\CCCCC\N=C\c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C55H52N8O4/c1-36-28-50(56)48-30-42(18-24-52(48)60-36)62-54(64)46-12-6-4-10-40(46)34-66-44-20-14-38(15-21-44)32-58-26-8-3-9-27-59-33-39-16-22-45(23-17-39)67-35-41-11-5-7-13-47(41)55(65)63-43-19-25-53-49(31-43)51(57)29-37(2)61-53/h4-7,10-25,28-33H,3,8-9,26-27,34-35H2,1-2H3,(H2,56,60)(H2,57,61)(H,62,64)(H,63,65)/b58-32+,59-33+
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n/an/a 50.9n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340686
PNG
(CHEMBL1762382 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C54H54N8O4/c1-35-27-49(55)47-29-41(17-23-51(47)59-35)61-53(63)45-11-5-3-9-39(45)33-65-43-19-13-37(14-20-43)31-57-25-7-8-26-58-32-38-15-21-44(22-16-38)66-34-40-10-4-6-12-46(40)54(64)62-42-18-24-52-48(30-42)50(56)28-36(2)60-52/h3-6,9-24,27-30,57-58H,7-8,25-26,31-34H2,1-2H3,(H2,55,59)(H2,56,60)(H,61,63)(H,62,64)
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n/an/a 56.6n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340713
PNG
((E,E)-N,N'-bis[[4-[[2-[[(4-amino-2-methylquinolin-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(\C=N\CCCCCCC\N=C\c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C57H56N8O4/c1-38-30-52(58)50-32-44(20-26-54(50)62-38)64-56(66)48-14-8-6-12-42(48)36-68-46-22-16-40(17-23-46)34-60-28-10-4-3-5-11-29-61-35-41-18-24-47(25-19-41)69-37-43-13-7-9-15-49(43)57(67)65-45-21-27-55-51(33-45)53(59)31-39(2)63-55/h6-9,12-27,30-35H,3-5,10-11,28-29,36-37H2,1-2H3,(H2,58,62)(H2,59,63)(H,64,66)(H,65,67)/b60-34+,61-35+
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n/an/a 63.1n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340688
PNG
(CHEMBL1762384 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C56H58N8O4/c1-37-29-51(57)49-31-43(19-25-53(49)61-37)63-55(65)47-13-7-5-11-41(47)35-67-45-21-15-39(16-22-45)33-59-27-9-3-4-10-28-60-34-40-17-23-46(24-18-40)68-36-42-12-6-8-14-48(42)56(66)64-44-20-26-54-50(32-44)52(58)30-38(2)62-54/h5-8,11-26,29-32,59-60H,3-4,9-10,27-28,33-36H2,1-2H3,(H2,57,61)(H2,58,62)(H,63,65)(H,64,66)
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n/an/a 71.7n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340687
PNG
(CHEMBL1762383 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C55H56N8O4/c1-36-28-50(56)48-30-42(18-24-52(48)60-36)62-54(64)46-12-6-4-10-40(46)34-66-44-20-14-38(15-21-44)32-58-26-8-3-9-27-59-33-39-16-22-45(23-17-39)67-35-41-11-5-7-13-47(41)55(65)63-43-19-25-53-49(31-43)51(57)29-37(2)61-53/h4-7,10-25,28-31,58-59H,3,8-9,26-27,32-35H2,1-2H3,(H2,56,60)(H2,57,61)(H,62,64)(H,63,65)
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n/an/a 76.2n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340685
PNG
(CHEMBL1762381 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C53H52N8O4/c1-34-26-48(54)46-28-40(16-22-50(46)58-34)60-52(62)44-10-5-3-8-38(44)32-64-42-18-12-36(13-19-42)30-56-24-7-25-57-31-37-14-20-43(21-15-37)65-33-39-9-4-6-11-45(39)53(63)61-41-17-23-51-47(29-41)49(55)27-35(2)59-51/h3-6,8-23,26-29,56-57H,7,24-25,30-33H2,1-2H3,(H2,54,58)(H2,55,59)(H,60,62)(H,61,63)
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n/an/a 76.5n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340716
PNG
((E,E)-N,N'-bis[[4-[[2-[[(4-amino-2-methylquinolin-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(\C=N\CCCCCCCCCC\N=C\c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C60H62N8O4/c1-41-33-55(61)53-35-47(23-29-57(53)65-41)67-59(69)51-17-11-9-15-45(51)39-71-49-25-19-43(20-26-49)37-63-31-13-7-5-3-4-6-8-14-32-64-38-44-21-27-50(28-22-44)72-40-46-16-10-12-18-52(46)60(70)68-48-24-30-58-54(36-48)56(62)34-42(2)66-58/h9-12,15-30,33-38H,3-8,13-14,31-32,39-40H2,1-2H3,(H2,61,65)(H2,62,66)(H,67,69)(H,68,70)/b63-37+,64-38+
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n/an/a 82.1n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340715
PNG
((E,E)-N,N'-bis[[4-[[2-[[(4-amino-2-methylquinolin-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(\C=N\CCCCCCCCC\N=C\c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C59H60N8O4/c1-40-32-54(60)52-34-46(22-28-56(52)64-40)66-58(68)50-16-10-8-14-44(50)38-70-48-24-18-42(19-25-48)36-62-30-12-6-4-3-5-7-13-31-63-37-43-20-26-49(27-21-43)71-39-45-15-9-11-17-51(45)59(69)67-47-23-29-57-53(35-47)55(61)33-41(2)65-57/h8-11,14-29,32-37H,3-7,12-13,30-31,38-39H2,1-2H3,(H2,60,64)(H2,61,65)(H,66,68)(H,67,69)/b62-36+,63-37+
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n/an/a 82.7n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340693
PNG
(CHEMBL1762397 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C28H30N4O2/c1-3-14-30-17-20-8-11-23(12-9-20)34-18-21-6-4-5-7-24(21)28(33)32-22-10-13-27-25(16-22)26(29)15-19(2)31-27/h4-13,15-16,30H,3,14,17-18H2,1-2H3,(H2,29,31)(H,32,33)
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n/an/a 83n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340712
PNG
((E,E)-N,N'-bis[[4-[[2-[[(4-amino-2-methylquinolin-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(\C=N\CCCCCC\N=C\c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C56H54N8O4/c1-37-29-51(57)49-31-43(19-25-53(49)61-37)63-55(65)47-13-7-5-11-41(47)35-67-45-21-15-39(16-22-45)33-59-27-9-3-4-10-28-60-34-40-17-23-46(24-18-40)68-36-42-12-6-8-14-48(42)56(66)64-44-20-26-54-50(32-44)52(58)30-38(2)62-54/h5-8,11-26,29-34H,3-4,9-10,27-28,35-36H2,1-2H3,(H2,57,61)(H2,58,62)(H,63,65)(H,64,66)/b59-33+,60-34+
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n/an/a 83.3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340717
PNG
((E)-N-(4-amino-2-methylquinolin-6-yl)-2-[4-(propyl...)
Show SMILES CCC\N=C\c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C28H28N4O2/c1-3-14-30-17-20-8-11-23(12-9-20)34-18-21-6-4-5-7-24(21)28(33)32-22-10-13-27-25(16-22)26(29)15-19(2)31-27/h4-13,15-17H,3,14,18H2,1-2H3,(H2,29,31)(H,32,33)/b30-17+
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n/an/a 98.9n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340714
PNG
((E,E)-N,N'-bis[[4-[[2-[[(4-amino-2-methylquinolin-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(\C=N\CCCCCCCC\N=C\c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C58H58N8O4/c1-39-31-53(59)51-33-45(21-27-55(51)63-39)65-57(67)49-15-9-7-13-43(49)37-69-47-23-17-41(18-24-47)35-61-29-11-5-3-4-6-12-30-62-36-42-19-25-48(26-20-42)70-38-44-14-8-10-16-50(44)58(68)66-46-22-28-56-52(34-46)54(60)32-40(2)64-56/h7-10,13-28,31-36H,3-6,11-12,29-30,37-38H2,1-2H3,(H2,59,63)(H2,60,64)(H,65,67)(H,66,68)/b61-35+,62-36+
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n/an/a 114n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340683
PNG
(CHEMBL1762412 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CN)cc3)ccc2n1
Show InChI InChI=1S/C25H24N4O2/c1-16-12-23(27)22-13-19(8-11-24(22)28-16)29-25(30)21-5-3-2-4-18(21)15-31-20-9-6-17(14-26)7-10-20/h2-13H,14-15,26H2,1H3,(H2,27,28)(H,29,30)
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n/an/a 116n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340721
PNG
((E)-N-(4-amino-2-methylquinolin-6-yl)-2-[4-(heptyl...)
Show SMILES CCCCCCC\N=C\c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C32H36N4O2/c1-3-4-5-6-9-18-34-21-24-12-15-27(16-13-24)38-22-25-10-7-8-11-28(25)32(37)36-26-14-17-31-29(20-26)30(33)19-23(2)35-31/h7-8,10-17,19-21H,3-6,9,18,22H2,1-2H3,(H2,33,35)(H,36,37)/b34-21+
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n/an/a 142n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340706
PNG
(CHEMBL1762409 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C33H41N5O2/c1-24-20-31(35)30-21-27(14-17-32(30)37-24)38-33(39)29-11-7-6-10-26(29)23-40-28-15-12-25(13-16-28)22-36-19-9-5-3-2-4-8-18-34/h6-7,10-17,20-21,36H,2-5,8-9,18-19,22-23,34H2,1H3,(H2,35,37)(H,38,39)
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n/an/a 144n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340722
PNG
((E)-N-(4-amino-2-methylquinolin-6-yl)-2-[4-(octyli...)
Show SMILES CCCCCCCC\N=C\c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C33H38N4O2/c1-3-4-5-6-7-10-19-35-22-25-13-16-28(17-14-25)39-23-26-11-8-9-12-29(26)33(38)37-27-15-18-32-30(21-27)31(34)20-24(2)36-32/h8-9,11-18,20-22H,3-7,10,19,23H2,1-2H3,(H2,34,36)(H,37,38)/b35-22+
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n/an/a 147n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340682
PNG
(CHEMBL1762411 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C35H45N5O2/c1-26-22-33(37)32-23-29(16-19-34(32)39-26)40-35(41)31-13-9-8-12-28(31)25-42-30-17-14-27(15-18-30)24-38-21-11-7-5-3-2-4-6-10-20-36/h8-9,12-19,22-23,38H,2-7,10-11,20-21,24-25,36H2,1H3,(H2,37,39)(H,40,41)
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n/an/a 153n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340723
PNG
((E)-N-(4-amino-2-methylquinolin-6-yl)-2-[4-(nonyli...)
Show SMILES CCCCCCCCC\N=C\c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C34H40N4O2/c1-3-4-5-6-7-8-11-20-36-23-26-14-17-29(18-15-26)40-24-27-12-9-10-13-30(27)34(39)38-28-16-19-33-31(22-28)32(35)21-25(2)37-33/h9-10,12-19,21-23H,3-8,11,20,24H2,1-2H3,(H2,35,37)(H,38,39)/b36-23+
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n/an/a 155n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340701
PNG
(CHEMBL1762405 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCN)cc3)ccc2n1
Show InChI InChI=1S/C28H31N5O2/c1-19-15-26(30)25-16-22(9-12-27(25)32-19)33-28(34)24-6-3-2-5-21(24)18-35-23-10-7-20(8-11-23)17-31-14-4-13-29/h2-3,5-12,15-16,31H,4,13-14,17-18,29H2,1H3,(H2,30,32)(H,33,34)
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n/an/a 160n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340724
PNG
((E)-N-(4-amino-2-methylquinolin-6-yl)-2-[4-(decyli...)
Show SMILES CCCCCCCCCC\N=C\c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C35H42N4O2/c1-3-4-5-6-7-8-9-12-21-37-24-27-15-18-30(19-16-27)41-25-28-13-10-11-14-31(28)35(40)39-29-17-20-34-32(23-29)33(36)22-26(2)38-34/h10-11,13-20,22-24H,3-9,12,21,25H2,1-2H3,(H2,36,38)(H,39,40)/b37-24+
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n/an/a 185n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340719
PNG
((E)-N-(4-amino-2-methylquinolin-6-yl)-2-[4-(pentyl...)
Show SMILES CCCCC\N=C\c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C30H32N4O2/c1-3-4-7-16-32-19-22-10-13-25(14-11-22)36-20-23-8-5-6-9-26(23)30(35)34-24-12-15-29-27(18-24)28(31)17-21(2)33-29/h5-6,8-15,17-19H,3-4,7,16,20H2,1-2H3,(H2,31,33)(H,34,35)/b32-19+
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n/an/a 186n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340703
PNG
(CHEMBL1762407 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C30H35N5O2/c1-21-17-28(32)27-18-24(11-14-29(27)34-21)35-30(36)26-8-4-3-7-23(26)20-37-25-12-9-22(10-13-25)19-33-16-6-2-5-15-31/h3-4,7-14,17-18,33H,2,5-6,15-16,19-20,31H2,1H3,(H2,32,34)(H,35,36)
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n/an/a 207n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340684
PNG
(4-amino-6-[[2-(4-formylphenoxymethyl)benzoyl]amino...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C=O)cc3)ccc2n1
Show InChI InChI=1S/C25H21N3O3/c1-16-12-23(26)22-13-19(8-11-24(22)27-16)28-25(30)21-5-3-2-4-18(21)15-31-20-9-6-17(14-29)7-10-20/h2-14H,15H2,1H3,(H2,26,27)(H,28,30)
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n/an/a 207n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340720
PNG
((E)-N-(4-amino-2-methylquinolin-6-yl)-2-[4-(hexyli...)
Show SMILES CCCCCC\N=C\c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C31H34N4O2/c1-3-4-5-8-17-33-20-23-11-14-26(15-12-23)37-21-24-9-6-7-10-27(24)31(36)35-25-13-16-30-28(19-25)29(32)18-22(2)34-30/h6-7,9-16,18-20H,3-5,8,17,21H2,1-2H3,(H2,32,34)(H,35,36)/b33-20+
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n/an/a 209n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340681
PNG
(CHEMBL1762410 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C34H43N5O2/c1-25-21-32(36)31-22-28(15-18-33(31)38-25)39-34(40)30-12-8-7-11-27(30)24-41-29-16-13-26(14-17-29)23-37-20-10-6-4-2-3-5-9-19-35/h7-8,11-18,21-22,37H,2-6,9-10,19-20,23-24,35H2,1H3,(H2,36,38)(H,39,40)
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n/an/a 212n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340705
PNG
(CHEMBL1762408 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C32H39N5O2/c1-23-19-30(34)29-20-26(13-16-31(29)36-23)37-32(38)28-10-6-5-9-25(28)22-39-27-14-11-24(12-15-27)21-35-18-8-4-2-3-7-17-33/h5-6,9-16,19-20,35H,2-4,7-8,17-18,21-22,33H2,1H3,(H2,34,36)(H,37,38)
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n/an/a 246n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340699
PNG
(CHEMBL1762403 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C34H42N4O2/c1-3-4-5-6-7-8-11-20-36-23-26-14-17-29(18-15-26)40-24-27-12-9-10-13-30(27)34(39)38-28-16-19-33-31(22-28)32(35)21-25(2)37-33/h9-10,12-19,21-22,36H,3-8,11,20,23-24H2,1-2H3,(H2,35,37)(H,38,39)
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n/an/a 305n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340718
PNG
((E)-N-(4-amino-2-methylquinolin-6-yl)-2-[4-(butyli...)
Show SMILES CCCC\N=C\c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C29H30N4O2/c1-3-4-15-31-18-21-9-12-24(13-10-21)35-19-22-7-5-6-8-25(22)29(34)33-23-11-14-28-26(17-23)27(30)16-20(2)32-28/h5-14,16-18H,3-4,15,19H2,1-2H3,(H2,30,32)(H,33,34)/b31-18+
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n/an/a 309n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340706
PNG
(CHEMBL1762409 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C33H41N5O2/c1-24-20-31(35)30-21-27(14-17-32(30)37-24)38-33(39)29-11-7-6-10-26(29)23-40-28-15-12-25(13-16-28)22-36-19-9-5-3-2-4-8-18-34/h6-7,10-17,20-21,36H,2-5,8-9,18-19,22-23,34H2,1H3,(H2,35,37)(H,38,39)
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n/an/a 325n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340700
PNG
(CHEMBL1762404 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C35H44N4O2/c1-3-4-5-6-7-8-9-12-21-37-24-27-15-18-30(19-16-27)41-25-28-13-10-11-14-31(28)35(40)39-29-17-20-34-32(23-29)33(36)22-26(2)38-34/h10-11,13-20,22-23,37H,3-9,12,21,24-25H2,1-2H3,(H2,36,38)(H,39,40)
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n/an/a 405n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340685
PNG
(CHEMBL1762381 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C53H52N8O4/c1-34-26-48(54)46-28-40(16-22-50(46)58-34)60-52(62)44-10-5-3-8-38(44)32-64-42-18-12-36(13-19-42)30-56-24-7-25-57-31-37-14-20-43(21-15-37)65-33-39-9-4-6-11-45(39)53(63)61-41-17-23-51-47(29-41)49(55)27-35(2)59-51/h3-6,8-23,26-29,56-57H,7,24-25,30-33H2,1-2H3,(H2,54,58)(H2,55,59)(H,60,62)(H,61,63)
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n/an/a 468n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340698
PNG
(CHEMBL1762402 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C33H40N4O2/c1-3-4-5-6-7-10-19-35-22-25-13-16-28(17-14-25)39-23-26-11-8-9-12-29(26)33(38)37-27-15-18-32-30(21-27)31(34)20-24(2)36-32/h8-9,11-18,20-21,35H,3-7,10,19,22-23H2,1-2H3,(H2,34,36)(H,37,38)
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n/an/a 483n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340697
PNG
(CHEMBL1762401 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C32H38N4O2/c1-3-4-5-6-9-18-34-21-24-12-15-27(16-13-24)38-22-25-10-7-8-11-28(25)32(37)36-26-14-17-31-29(20-26)30(33)19-23(2)35-31/h7-8,10-17,19-20,34H,3-6,9,18,21-22H2,1-2H3,(H2,33,35)(H,36,37)
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n/an/a 668n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340695
PNG
(CHEMBL1762399 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C30H34N4O2/c1-3-4-7-16-32-19-22-10-13-25(14-11-22)36-20-23-8-5-6-9-26(23)30(35)34-24-12-15-29-27(18-24)28(31)17-21(2)33-29/h5-6,8-15,17-18,32H,3-4,7,16,19-20H2,1-2H3,(H2,31,33)(H,34,35)
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n/an/a 732n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340702
PNG
(CHEMBL1762406 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C29H33N5O2/c1-20-16-27(31)26-17-23(10-13-28(26)33-20)34-29(35)25-7-3-2-6-22(25)19-36-24-11-8-21(9-12-24)18-32-15-5-4-14-30/h2-3,6-13,16-17,32H,4-5,14-15,18-19,30H2,1H3,(H2,31,33)(H,34,35)
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n/an/a 800n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340706
PNG
(CHEMBL1762409 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C33H41N5O2/c1-24-20-31(35)30-21-27(14-17-32(30)37-24)38-33(39)29-11-7-6-10-26(29)23-40-28-15-12-25(13-16-28)22-36-19-9-5-3-2-4-8-18-34/h6-7,10-17,20-21,36H,2-5,8-9,18-19,22-23,34H2,1H3,(H2,35,37)(H,38,39)
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n/an/a 872n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340692
PNG
(CHEMBL1762388 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C60H66N8O4/c1-41-33-55(61)53-35-47(23-29-57(53)65-41)67-59(69)51-17-11-9-15-45(51)39-71-49-25-19-43(20-26-49)37-63-31-13-7-5-3-4-6-8-14-32-64-38-44-21-27-50(28-22-44)72-40-46-16-10-12-18-52(46)60(70)68-48-24-30-58-54(36-48)56(62)34-42(2)66-58/h9-12,15-30,33-36,63-64H,3-8,13-14,31-32,37-40H2,1-2H3,(H2,61,65)(H2,62,66)(H,67,69)(H,68,70)
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n/an/a 900n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340705
PNG
(CHEMBL1762408 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C32H39N5O2/c1-23-19-30(34)29-20-26(13-16-31(29)36-23)37-32(38)28-10-6-5-9-25(28)22-39-27-14-11-24(12-15-27)21-35-18-8-4-2-3-7-17-33/h5-6,9-16,19-20,35H,2-4,7-8,17-18,21-22,33H2,1H3,(H2,34,36)(H,37,38)
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n/an/a 998n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340689
PNG
(CHEMBL1762385 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C57H60N8O4/c1-38-30-52(58)50-32-44(20-26-54(50)62-38)64-56(66)48-14-8-6-12-42(48)36-68-46-22-16-40(17-23-46)34-60-28-10-4-3-5-11-29-61-35-41-18-24-47(25-19-41)69-37-43-13-7-9-15-49(43)57(67)65-45-21-27-55-51(33-45)53(59)31-39(2)63-55/h6-9,12-27,30-33,60-61H,3-5,10-11,28-29,34-37H2,1-2H3,(H2,58,62)(H2,59,63)(H,64,66)(H,65,67)
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n/an/a 1.02E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340689
PNG
(CHEMBL1762385 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C57H60N8O4/c1-38-30-52(58)50-32-44(20-26-54(50)62-38)64-56(66)48-14-8-6-12-42(48)36-68-46-22-16-40(17-23-46)34-60-28-10-4-3-5-11-29-61-35-41-18-24-47(25-19-41)69-37-43-13-7-9-15-49(43)57(67)65-45-21-27-55-51(33-45)53(59)31-39(2)63-55/h6-9,12-27,30-33,60-61H,3-5,10-11,28-29,34-37H2,1-2H3,(H2,58,62)(H2,59,63)(H,64,66)(H,65,67)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340691
PNG
(CHEMBL1762387 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C59H64N8O4/c1-40-32-54(60)52-34-46(22-28-56(52)64-40)66-58(68)50-16-10-8-14-44(50)38-70-48-24-18-42(19-25-48)36-62-30-12-6-4-3-5-7-13-31-63-37-43-20-26-49(27-21-43)71-39-45-15-9-11-17-51(45)59(69)67-47-23-29-57-53(35-47)55(61)33-41(2)65-57/h8-11,14-29,32-35,62-63H,3-7,12-13,30-31,36-39H2,1-2H3,(H2,60,64)(H2,61,65)(H,66,68)(H,67,69)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340686
PNG
(CHEMBL1762382 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C54H54N8O4/c1-35-27-49(55)47-29-41(17-23-51(47)59-35)61-53(63)45-11-5-3-9-39(45)33-65-43-19-13-37(14-20-43)31-57-25-7-8-26-58-32-38-15-21-44(22-16-38)66-34-40-10-4-6-12-46(40)54(64)62-42-18-24-52-48(30-42)50(56)28-36(2)60-52/h3-6,9-24,27-30,57-58H,7-8,25-26,31-34H2,1-2H3,(H2,55,59)(H2,56,60)(H,61,63)(H,62,64)
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n/an/a 1.09E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340704
PNG
(CHEMBL1760025 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C31H37N5O2/c1-22-18-29(33)28-19-25(12-15-30(28)35-22)36-31(37)27-9-5-4-8-24(27)21-38-26-13-10-23(11-14-26)20-34-17-7-3-2-6-16-32/h4-5,8-15,18-19,34H,2-3,6-7,16-17,20-21,32H2,1H3,(H2,33,35)(H,36,37)
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n/an/a 1.11E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340694
PNG
(CHEMBL1762398 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C29H32N4O2/c1-3-4-15-31-18-21-9-12-24(13-10-21)35-19-22-7-5-6-8-25(22)29(34)33-23-11-14-28-26(17-23)27(30)16-20(2)32-28/h5-14,16-17,31H,3-4,15,18-19H2,1-2H3,(H2,30,32)(H,33,34)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340696
PNG
(CHEMBL1762400 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C31H36N4O2/c1-3-4-5-8-17-33-20-23-11-14-26(15-12-23)37-21-24-9-6-7-10-27(24)31(36)35-25-13-16-30-28(19-25)29(32)18-22(2)34-30/h6-7,9-16,18-19,33H,3-5,8,17,20-21H2,1-2H3,(H2,32,34)(H,35,36)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340691
PNG
(CHEMBL1762387 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C59H64N8O4/c1-40-32-54(60)52-34-46(22-28-56(52)64-40)66-58(68)50-16-10-8-14-44(50)38-70-48-24-18-42(19-25-48)36-62-30-12-6-4-3-5-7-13-31-63-37-43-20-26-49(27-21-43)71-39-45-15-9-11-17-51(45)59(69)67-47-23-29-57-53(35-47)55(61)33-41(2)65-57/h8-11,14-29,32-35,62-63H,3-7,12-13,30-31,36-39H2,1-2H3,(H2,60,64)(H2,61,65)(H,66,68)(H,67,69)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340696
PNG
(CHEMBL1762400 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C31H36N4O2/c1-3-4-5-8-17-33-20-23-11-14-26(15-12-23)37-21-24-9-6-7-10-27(24)31(36)35-25-13-16-30-28(19-25)29(32)18-22(2)34-30/h6-7,9-16,18-19,33H,3-5,8,17,20-21H2,1-2H3,(H2,32,34)(H,35,36)
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n/an/a 1.22E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340704
PNG
(CHEMBL1760025 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C31H37N5O2/c1-22-18-29(33)28-19-25(12-15-30(28)35-22)36-31(37)27-9-5-4-8-24(27)21-38-26-13-10-23(11-14-26)20-34-17-7-3-2-6-16-32/h4-5,8-15,18-19,34H,2-3,6-7,16-17,20-21,32H2,1H3,(H2,33,35)(H,36,37)
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n/an/a 1.22E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340690
PNG
(CHEMBL1762386 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C58H62N8O4/c1-39-31-53(59)51-33-45(21-27-55(51)63-39)65-57(67)49-15-9-7-13-43(49)37-69-47-23-17-41(18-24-47)35-61-29-11-5-3-4-6-12-30-62-36-42-19-25-48(26-20-42)70-38-44-14-8-10-16-50(44)58(68)66-46-22-28-56-52(34-46)54(60)32-40(2)64-56/h7-10,13-28,31-34,61-62H,3-6,11-12,29-30,35-38H2,1-2H3,(H2,59,63)(H2,60,64)(H,65,67)(H,66,68)
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n/an/a 1.27E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340692
PNG
(CHEMBL1762388 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C60H66N8O4/c1-41-33-55(61)53-35-47(23-29-57(53)65-41)67-59(69)51-17-11-9-15-45(51)39-71-49-25-19-43(20-26-49)37-63-31-13-7-5-3-4-6-8-14-32-64-38-44-21-27-50(28-22-44)72-40-46-16-10-12-18-52(46)60(70)68-48-24-30-58-54(36-48)56(62)34-42(2)66-58/h9-12,15-30,33-36,63-64H,3-8,13-14,31-32,37-40H2,1-2H3,(H2,61,65)(H2,62,66)(H,67,69)(H,68,70)
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n/an/a 1.32E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340688
PNG
(CHEMBL1762384 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C56H58N8O4/c1-37-29-51(57)49-31-43(19-25-53(49)61-37)63-55(65)47-13-7-5-11-41(47)35-67-45-21-15-39(16-22-45)33-59-27-9-3-4-10-28-60-34-40-17-23-46(24-18-40)68-36-42-12-6-8-14-48(42)56(66)64-44-20-26-54-50(32-44)52(58)30-38(2)62-54/h5-8,11-26,29-32,59-60H,3-4,9-10,27-28,33-36H2,1-2H3,(H2,57,61)(H2,58,62)(H,63,65)(H,64,66)
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n/an/a 1.35E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340688
PNG
(CHEMBL1762384 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C56H58N8O4/c1-37-29-51(57)49-31-43(19-25-53(49)61-37)63-55(65)47-13-7-5-11-41(47)35-67-45-21-15-39(16-22-45)33-59-27-9-3-4-10-28-60-34-40-17-23-46(24-18-40)68-36-42-12-6-8-14-48(42)56(66)64-44-20-26-54-50(32-44)52(58)30-38(2)62-54/h5-8,11-26,29-32,59-60H,3-4,9-10,27-28,33-36H2,1-2H3,(H2,57,61)(H2,58,62)(H,63,65)(H,64,66)
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n/an/a 1.39E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340682
PNG
(CHEMBL1762411 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C35H45N5O2/c1-26-22-33(37)32-23-29(16-19-34(32)39-26)40-35(41)31-13-9-8-12-28(31)25-42-30-17-14-27(15-18-30)24-38-21-11-7-5-3-2-4-6-10-20-36/h8-9,12-19,22-23,38H,2-7,10-11,20-21,24-25,36H2,1H3,(H2,37,39)(H,40,41)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340701
PNG
(CHEMBL1762405 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCN)cc3)ccc2n1
Show InChI InChI=1S/C28H31N5O2/c1-19-15-26(30)25-16-22(9-12-27(25)32-19)33-28(34)24-6-3-2-5-21(24)18-35-23-10-7-20(8-11-23)17-31-14-4-13-29/h2-3,5-12,15-16,31H,4,13-14,17-18,29H2,1H3,(H2,30,32)(H,33,34)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340687
PNG
(CHEMBL1762383 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C55H56N8O4/c1-36-28-50(56)48-30-42(18-24-52(48)60-36)62-54(64)46-12-6-4-10-40(46)34-66-44-20-14-38(15-21-44)32-58-26-8-3-9-27-59-33-39-16-22-45(23-17-39)67-35-41-11-5-7-13-47(41)55(65)63-43-19-25-53-49(31-43)51(57)29-37(2)61-53/h4-7,10-25,28-31,58-59H,3,8-9,26-27,32-35H2,1-2H3,(H2,56,60)(H2,57,61)(H,62,64)(H,63,65)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50094634
PNG
(CHEMBL140979 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340686
PNG
(CHEMBL1762382 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C54H54N8O4/c1-35-27-49(55)47-29-41(17-23-51(47)59-35)61-53(63)45-11-5-3-9-39(45)33-65-43-19-13-37(14-20-43)31-57-25-7-8-26-58-32-38-15-21-44(22-16-38)66-34-40-10-4-6-12-46(40)54(64)62-42-18-24-52-48(30-42)50(56)28-36(2)60-52/h3-6,9-24,27-30,57-58H,7-8,25-26,31-34H2,1-2H3,(H2,55,59)(H2,56,60)(H,61,63)(H,62,64)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340701
PNG
(CHEMBL1762405 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCN)cc3)ccc2n1
Show InChI InChI=1S/C28H31N5O2/c1-19-15-26(30)25-16-22(9-12-27(25)32-19)33-28(34)24-6-3-2-5-21(24)18-35-23-10-7-20(8-11-23)17-31-14-4-13-29/h2-3,5-12,15-16,31H,4,13-14,17-18,29H2,1H3,(H2,30,32)(H,33,34)
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n/an/a 1.65E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340697
PNG
(CHEMBL1762401 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C32H38N4O2/c1-3-4-5-6-9-18-34-21-24-12-15-27(16-13-24)38-22-25-10-7-8-11-28(25)32(37)36-26-14-17-31-29(20-26)30(33)19-23(2)35-31/h7-8,10-17,19-20,34H,3-6,9,18,21-22H2,1-2H3,(H2,33,35)(H,36,37)
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n/an/a 1.85E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340690
PNG
(CHEMBL1762386 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C58H62N8O4/c1-39-31-53(59)51-33-45(21-27-55(51)63-39)65-57(67)49-15-9-7-13-43(49)37-69-47-23-17-41(18-24-47)35-61-29-11-5-3-4-6-12-30-62-36-42-19-25-48(26-20-42)70-38-44-14-8-10-16-50(44)58(68)66-46-22-28-56-52(34-46)54(60)32-40(2)64-56/h7-10,13-28,31-34,61-62H,3-6,11-12,29-30,35-38H2,1-2H3,(H2,59,63)(H2,60,64)(H,65,67)(H,66,68)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340697
PNG
(CHEMBL1762401 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C32H38N4O2/c1-3-4-5-6-9-18-34-21-24-12-15-27(16-13-24)38-22-25-10-7-8-11-28(25)32(37)36-26-14-17-31-29(20-26)30(33)19-23(2)35-31/h7-8,10-17,19-20,34H,3-6,9,18,21-22H2,1-2H3,(H2,33,35)(H,36,37)
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n/an/a 1.98E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340703
PNG
(CHEMBL1762407 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C30H35N5O2/c1-21-17-28(32)27-18-24(11-14-29(27)34-21)35-30(36)26-8-4-3-7-23(26)20-37-25-12-9-22(10-13-25)19-33-16-6-2-5-15-31/h3-4,7-14,17-18,33H,2,5-6,15-16,19-20,31H2,1H3,(H2,32,34)(H,35,36)
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n/an/a 2.16E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340699
PNG
(CHEMBL1762403 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C34H42N4O2/c1-3-4-5-6-7-8-11-20-36-23-26-14-17-29(18-15-26)40-24-27-12-9-10-13-30(27)34(39)38-28-16-19-33-31(22-28)32(35)21-25(2)37-33/h9-10,12-19,21-22,36H,3-8,11,20,23-24H2,1-2H3,(H2,35,37)(H,38,39)
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n/an/a 2.17E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340687
PNG
(CHEMBL1762383 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C55H56N8O4/c1-36-28-50(56)48-30-42(18-24-52(48)60-36)62-54(64)46-12-6-4-10-40(46)34-66-44-20-14-38(15-21-44)32-58-26-8-3-9-27-59-33-39-16-22-45(23-17-39)67-35-41-11-5-7-13-47(41)55(65)63-43-19-25-53-49(31-43)51(57)29-37(2)61-53/h4-7,10-25,28-31,58-59H,3,8-9,26-27,32-35H2,1-2H3,(H2,56,60)(H2,57,61)(H,62,64)(H,63,65)
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n/an/a 2.51E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340699
PNG
(CHEMBL1762403 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C34H42N4O2/c1-3-4-5-6-7-8-11-20-36-23-26-14-17-29(18-15-26)40-24-27-12-9-10-13-30(27)34(39)38-28-16-19-33-31(22-28)32(35)21-25(2)37-33/h9-10,12-19,21-22,36H,3-8,11,20,23-24H2,1-2H3,(H2,35,37)(H,38,39)
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n/an/a 2.57E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340696
PNG
(CHEMBL1762400 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C31H36N4O2/c1-3-4-5-8-17-33-20-23-11-14-26(15-12-23)37-21-24-9-6-7-10-27(24)31(36)35-25-13-16-30-28(19-25)29(32)18-22(2)34-30/h6-7,9-16,18-19,33H,3-5,8,17,20-21H2,1-2H3,(H2,32,34)(H,35,36)
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n/an/a 2.59E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340700
PNG
(CHEMBL1762404 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C35H44N4O2/c1-3-4-5-6-7-8-9-12-21-37-24-27-15-18-30(19-16-27)41-25-28-13-10-11-14-31(28)35(40)39-29-17-20-34-32(23-29)33(36)22-26(2)38-34/h10-11,13-20,22-23,37H,3-9,12,21,24-25H2,1-2H3,(H2,36,38)(H,39,40)
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n/an/a 2.76E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340693
PNG
(CHEMBL1762397 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C28H30N4O2/c1-3-14-30-17-20-8-11-23(12-9-20)34-18-21-6-4-5-7-24(21)28(33)32-22-10-13-27-25(16-22)26(29)15-19(2)31-27/h4-13,15-16,30H,3,14,17-18H2,1-2H3,(H2,29,31)(H,32,33)
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n/an/a 3.08E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340693
PNG
(CHEMBL1762397 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C28H30N4O2/c1-3-14-30-17-20-8-11-23(12-9-20)34-18-21-6-4-5-7-24(21)28(33)32-22-10-13-27-25(16-22)26(29)15-19(2)31-27/h4-13,15-16,30H,3,14,17-18H2,1-2H3,(H2,29,31)(H,32,33)
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n/an/a 3.35E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340695
PNG
(CHEMBL1762399 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C30H34N4O2/c1-3-4-7-16-32-19-22-10-13-25(14-11-22)36-20-23-8-5-6-9-26(23)30(35)34-24-12-15-29-27(18-24)28(31)17-21(2)33-29/h5-6,8-15,17-18,32H,3-4,7,16,19-20H2,1-2H3,(H2,31,33)(H,34,35)
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n/an/a 3.67E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340702
PNG
(CHEMBL1762406 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C29H33N5O2/c1-20-16-27(31)26-17-23(10-13-28(26)33-20)34-29(35)25-7-3-2-6-22(25)19-36-24-11-8-21(9-12-24)18-32-15-5-4-14-30/h2-3,6-13,16-17,32H,4-5,14-15,18-19,30H2,1H3,(H2,31,33)(H,34,35)
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n/an/a 4.26E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340698
PNG
(CHEMBL1762402 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C33H40N4O2/c1-3-4-5-6-7-10-19-35-22-25-13-16-28(17-14-25)39-23-26-11-8-9-12-29(26)33(38)37-27-15-18-32-30(21-27)31(34)20-24(2)36-32/h8-9,11-18,20-21,35H,3-7,10,19,22-23H2,1-2H3,(H2,34,36)(H,37,38)
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n/an/a 4.34E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340700
PNG
(CHEMBL1762404 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C35H44N4O2/c1-3-4-5-6-7-8-9-12-21-37-24-27-15-18-30(19-16-27)41-25-28-13-10-11-14-31(28)35(40)39-29-17-20-34-32(23-29)33(36)22-26(2)38-34/h10-11,13-20,22-23,37H,3-9,12,21,24-25H2,1-2H3,(H2,36,38)(H,39,40)
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n/an/a 4.35E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340695
PNG
(CHEMBL1762399 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C30H34N4O2/c1-3-4-7-16-32-19-22-10-13-25(14-11-22)36-20-23-8-5-6-9-26(23)30(35)34-24-12-15-29-27(18-24)28(31)17-21(2)33-29/h5-6,8-15,17-18,32H,3-4,7,16,19-20H2,1-2H3,(H2,31,33)(H,34,35)
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n/an/a 4.45E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340703
PNG
(CHEMBL1762407 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C30H35N5O2/c1-21-17-28(32)27-18-24(11-14-29(27)34-21)35-30(36)26-8-4-3-7-23(26)20-37-25-12-9-22(10-13-25)19-33-16-6-2-5-15-31/h3-4,7-14,17-18,33H,2,5-6,15-16,19-20,31H2,1H3,(H2,32,34)(H,35,36)
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n/an/a 4.89E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340698
PNG
(CHEMBL1762402 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C33H40N4O2/c1-3-4-5-6-7-10-19-35-22-25-13-16-28(17-14-25)39-23-26-11-8-9-12-29(26)33(38)37-27-15-18-32-30(21-27)31(34)20-24(2)36-32/h8-9,11-18,20-21,35H,3-7,10,19,22-23H2,1-2H3,(H2,34,36)(H,37,38)
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n/an/a 4.96E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340694
PNG
(CHEMBL1762398 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C29H32N4O2/c1-3-4-15-31-18-21-9-12-24(13-10-21)35-19-22-7-5-6-8-25(22)29(34)33-23-11-14-28-26(17-23)27(30)16-20(2)32-28/h5-14,16-17,31H,3-4,15,18-19H2,1-2H3,(H2,30,32)(H,33,34)
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n/an/a 5.11E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340702
PNG
(CHEMBL1762406 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C29H33N5O2/c1-20-16-27(31)26-17-23(10-13-28(26)33-20)34-29(35)25-7-3-2-6-22(25)19-36-24-11-8-21(9-12-24)18-32-15-5-4-14-30/h2-3,6-13,16-17,32H,4-5,14-15,18-19,30H2,1H3,(H2,31,33)(H,34,35)
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n/an/a 5.33E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340685
PNG
(CHEMBL1762381 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C53H52N8O4/c1-34-26-48(54)46-28-40(16-22-50(46)58-34)60-52(62)44-10-5-3-8-38(44)32-64-42-18-12-36(13-19-42)30-56-24-7-25-57-31-37-14-20-43(21-15-37)65-33-39-9-4-6-11-45(39)53(63)61-41-17-23-51-47(29-41)49(55)27-35(2)59-51/h3-6,8-23,26-29,56-57H,7,24-25,30-33H2,1-2H3,(H2,54,58)(H2,55,59)(H,60,62)(H,61,63)
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n/an/a 5.48E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340694
PNG
(CHEMBL1762398 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C29H32N4O2/c1-3-4-15-31-18-21-9-12-24(13-10-21)35-19-22-7-5-6-8-25(22)29(34)33-23-11-14-28-26(17-23)27(30)16-20(2)32-28/h5-14,16-17,31H,3-4,15,18-19H2,1-2H3,(H2,30,32)(H,33,34)
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n/an/a 5.92E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340704
PNG
(CHEMBL1760025 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C31H37N5O2/c1-22-18-29(33)28-19-25(12-15-30(28)35-22)36-31(37)27-9-5-4-8-24(27)21-38-26-13-10-23(11-14-26)20-34-17-7-3-2-6-16-32/h4-5,8-15,18-19,34H,2-3,6-7,16-17,20-21,32H2,1H3,(H2,33,35)(H,36,37)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340681
PNG
(CHEMBL1762410 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C34H43N5O2/c1-25-21-32(36)31-22-28(15-18-33(31)38-25)39-34(40)30-12-8-7-11-27(30)24-41-29-16-13-26(14-17-29)23-37-20-10-6-4-2-3-5-9-19-35/h7-8,11-18,21-22,37H,2-6,9-10,19-20,23-24,35H2,1H3,(H2,36,38)(H,39,40)
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n/an/a 6.18E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340681
PNG
(CHEMBL1762410 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C34H43N5O2/c1-25-21-32(36)31-22-28(15-18-33(31)38-25)39-34(40)30-12-8-7-11-27(30)24-41-29-16-13-26(14-17-29)23-37-20-10-6-4-2-3-5-9-19-35/h7-8,11-18,21-22,37H,2-6,9-10,19-20,23-24,35H2,1H3,(H2,36,38)(H,39,40)
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n/an/a 7.07E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50094634
PNG
(CHEMBL140979 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
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n/an/a 7.51E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340682
PNG
(CHEMBL1762411 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C35H45N5O2/c1-26-22-33(37)32-23-29(16-19-34(32)39-26)40-35(41)31-13-9-8-12-28(31)25-42-30-17-14-27(15-18-30)24-38-21-11-7-5-3-2-4-6-10-20-36/h8-9,12-19,22-23,38H,2-7,10-11,20-21,24-25,36H2,1H3,(H2,37,39)(H,40,41)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340705
PNG
(CHEMBL1762408 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C32H39N5O2/c1-23-19-30(34)29-20-26(13-16-31(29)36-23)37-32(38)28-10-6-5-9-25(28)22-39-27-14-11-24(12-15-27)21-35-18-8-4-2-3-7-17-33/h5-6,9-16,19-20,35H,2-4,7-8,17-18,21-22,33H2,1H3,(H2,34,36)(H,37,38)
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n/an/a 9.98E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%