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PubMed code 24678969

Compile data set for download or QSAR
Found 44 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))
BDBM50004193
PNG
(CHEMBL3236476)
Show SMILES OC(C(O)C(O)=O)C(O)=O.CN(C)Cc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCCc2cc(F)sc32)c(C)n1
Show InChI InChI=1S/C25H30F2N4OS.C4H6O6/c1-17-20(16-31(28-17)23-19(14-29(2)3)5-4-6-21(23)26)15-30-10-8-25(9-11-30)24-18(7-12-32-25)13-22(27)33-24;5-1(3(7)8)2(6)4(9)10/h4-6,13,16H,7-12,14-15H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
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0.0648n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004180
PNG
(CHEMBL3236474)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCCc1cc(F)sc21)-c1c(F)cccc1F
Show InChI InChI=1S/C22H22F3N3OS.C4H6O6/c1-14-16(13-28(26-14)20-17(23)3-2-4-18(20)24)12-27-8-6-22(7-9-27)21-15(5-10-29-22)11-19(25)30-21;5-1(3(7)8)2(6)4(9)10/h2-4,11,13H,5-10,12H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
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0.0711n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004195
PNG
(CHEMBL3236478)
Show SMILES OC(C(O)C(O)=O)C(O)=O.COCc1cccnc1-n1cc(CN2CCC3(CC2)OCCc2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C23H27ClN4O2S.C4H6O6/c1-16-19(14-28(26-16)22-18(15-29-2)4-3-8-25-22)13-27-9-6-23(7-10-27)21-17(5-11-30-23)12-20(24)31-21;5-1(3(7)8)2(6)4(9)10/h3-4,8,12,14H,5-7,9-11,13,15H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
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0.0908n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004175
PNG
(CHEMBL3236486)
Show SMILES Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1-c1ncc[nH]1
Show InChI InChI=1S/C24H23ClF2N6OS/c1-15-16(13-33(31-15)22-17(3-2-6-30-22)21-28-7-8-29-21)12-32-9-4-23(5-10-32)20-18(11-19(25)35-20)24(26,27)14-34-23/h2-3,6-8,11,13H,4-5,9-10,12,14H2,1H3,(H,28,29)
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0.0916n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004196
PNG
(CHEMBL3236479)
Show SMILES OC(C(O)C(O)=O)C(O)=O.COCc1cccnc1-n1cc(CN2CCC3(CC2)OCCc2cc(F)sc32)c(C)n1
Show InChI InChI=1S/C23H27FN4O2S.C4H6O6/c1-16-19(14-28(26-16)22-18(15-29-2)4-3-8-25-22)13-27-9-6-23(7-10-27)21-17(5-11-30-23)12-20(24)31-21;5-1(3(7)8)2(6)4(9)10/h3-4,8,12,14H,5-7,9-11,13,15H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
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0.0939n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004181
PNG
(CHEMBL3236475)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCCc1cc(F)sc21)-c1c(F)cccc1C(N)=O
Show InChI InChI=1S/C23H24F2N4O2S.C4H6O6/c1-14-16(13-29(27-14)20-17(22(26)30)3-2-4-18(20)24)12-28-8-6-23(7-9-28)21-15(5-10-31-23)11-19(25)32-21;5-1(3(7)8)2(6)4(9)10/h2-4,11,13H,5-10,12H2,1H3,(H2,26,30);1-2,5-6H,(H,7,8)(H,9,10)
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0.0954n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004174
PNG
(CHEMBL3236485)
Show SMILES OC(C(O)C(O)=O)C(O)=O.CNCc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C24H26ClF3N4OS.C4H6O6/c1-15-17(13-32(30-15)21-16(11-29-2)4-3-5-19(21)26)12-31-8-6-23(7-9-31)22-18(10-20(25)34-22)24(27,28)14-33-23;5-1(3(7)8)2(6)4(9)10/h3-5,10,13,29H,6-9,11-12,14H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
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0.0970n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004176
PNG
(CHEMBL3236487)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1CO
Show InChI InChI=1S/C22H23ClF2N4O2S.C4H6O6/c1-14-16(11-29(27-14)20-15(12-30)3-2-6-26-20)10-28-7-4-21(5-8-28)19-17(9-18(23)32-19)22(24,25)13-31-21;5-1(3(7)8)2(6)4(9)10/h2-3,6,9,11,30H,4-5,7-8,10,12-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
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0.105n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004173
PNG
(CHEMBL3236484)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1c(F)cccc1CO
Show InChI InChI=1S/C23H23ClF3N3O2S.C4H6O6/c1-14-16(11-30(28-14)20-15(12-31)3-2-4-18(20)25)10-29-7-5-22(6-8-29)21-17(9-19(24)33-21)23(26,27)13-32-22;5-1(3(7)8)2(6)4(9)10/h2-4,9,11,31H,5-8,10,12-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
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0.114n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004194
PNG
(CHEMBL3236477)
Show SMILES OC(C(O)C(O)=O)C(O)=O.CN(C)Cc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCCc2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C25H30ClFN4OS.C4H6O6/c1-17-20(16-31(28-17)23-19(14-29(2)3)5-4-6-21(23)27)15-30-10-8-25(9-11-30)24-18(7-12-32-25)13-22(26)33-24;5-1(3(7)8)2(6)4(9)10/h4-6,13,16H,7-12,14-15H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
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0.122n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004179
PNG
(CHEMBL3236473)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCCc1cc(F)sc21)-c1ncccc1F
Show InChI InChI=1S/C21H22F2N4OS.C4H6O6/c1-14-16(13-27(25-14)20-17(22)3-2-7-24-20)12-26-8-5-21(6-9-26)19-15(4-10-28-21)11-18(23)29-19;5-1(3(7)8)2(6)4(9)10/h2-3,7,11,13H,4-6,8-10,12H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
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0.139n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004166
PNG
(CHEMBL3236482)
Show SMILES OC(C(O)C(O)=O)C(O)=O.CN(C)Cc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C25H28ClF3N4OS.C4H6O6/c1-16-18(14-33(30-16)22-17(12-31(2)3)5-4-6-20(22)27)13-32-9-7-24(8-10-32)23-19(11-21(26)35-23)25(28,29)15-34-24;5-1(3(7)8)2(6)4(9)10/h4-6,11,14H,7-10,12-13,15H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
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0.145n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004144
PNG
(CHEMBL3236480)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1c(F)cccc1F
Show InChI InChI=1S/C22H20ClF4N3OS.C4H6O6/c1-13-14(11-30(28-13)19-16(24)3-2-4-17(19)25)10-29-7-5-21(6-8-29)20-15(9-18(23)32-20)22(26,27)12-31-21;5-1(3(7)8)2(6)4(9)10/h2-4,9,11H,5-8,10,12H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
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0.172n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004161
PNG
(CHEMBL3236481)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1F
Show InChI InChI=1S/C21H20ClF3N4OS.C4H6O6/c1-13-14(11-29(27-13)19-16(23)3-2-6-26-19)10-28-7-4-20(5-8-28)18-15(9-17(22)31-18)21(24,25)12-30-20;5-1(3(7)8)2(6)4(9)10/h2-3,6,9,11H,4-5,7-8,10,12H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
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0.176n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004177
PNG
(CHEMBL3236488)
Show SMILES OC(C(O)C(O)=O)C(O)=O.COCc1cccnc1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C23H25ClF2N4O2S.C4H6O6/c1-15-17(12-30(28-15)21-16(13-31-2)4-3-7-27-21)11-29-8-5-22(6-9-29)20-18(10-19(24)33-20)23(25,26)14-32-22;5-1(3(7)8)2(6)4(9)10/h3-4,7,10,12H,5-6,8-9,11,13-14H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
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0.185n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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0.214n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004171
PNG
(CHEMBL3236483)
Show SMILES OC(C(O)C(O)=O)C(O)=O.CN(C)Cc1cccnc1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C24H28ClF2N5OS.C4H6O6/c1-16-18(14-32(29-16)22-17(12-30(2)3)5-4-8-28-22)13-31-9-6-23(7-10-31)21-19(11-20(25)34-21)24(26,27)15-33-23;5-1(3(7)8)2(6)4(9)10/h4-5,8,11,14H,6-7,9-10,12-13,15H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
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0.371n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50004161
PNG
(CHEMBL3236481)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1F
Show InChI InChI=1S/C21H20ClF3N4OS.C4H6O6/c1-13-14(11-29(27-13)19-16(23)3-2-6-26-19)10-28-7-4-20(5-8-28)18-15(9-17(22)31-18)21(24,25)12-30-20;5-1(3(7)8)2(6)4(9)10/h2-3,6,9,11H,4-5,7-8,10,12H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50004175
PNG
(CHEMBL3236486)
Show SMILES Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1-c1ncc[nH]1
Show InChI InChI=1S/C24H23ClF2N6OS/c1-15-16(13-33(31-15)22-17(3-2-6-30-22)21-28-7-8-29-21)12-32-9-4-23(5-10-32)20-18(11-19(25)35-20)24(26,27)14-34-23/h2-3,6-8,11,13H,4-5,9-10,12,14H2,1H3,(H,28,29)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50004161
PNG
(CHEMBL3236481)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1F
Show InChI InChI=1S/C21H20ClF3N4OS.C4H6O6/c1-13-14(11-29(27-13)19-16(23)3-2-6-26-19)10-28-7-4-20(5-8-28)18-15(9-17(22)31-18)21(24,25)12-30-20;5-1(3(7)8)2(6)4(9)10/h2-3,6,9,11H,4-5,7-8,10,12H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50004173
PNG
(CHEMBL3236484)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1c(F)cccc1CO
Show InChI InChI=1S/C23H23ClF3N3O2S.C4H6O6/c1-14-16(11-30(28-14)20-15(12-31)3-2-4-18(20)25)10-29-7-5-22(6-8-29)21-17(9-19(24)33-21)23(26,27)13-32-22;5-1(3(7)8)2(6)4(9)10/h2-4,9,11,31H,5-8,10,12-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50004171
PNG
(CHEMBL3236483)
Show SMILES OC(C(O)C(O)=O)C(O)=O.CN(C)Cc1cccnc1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C24H28ClF2N5OS.C4H6O6/c1-16-18(14-32(29-16)22-17(12-30(2)3)5-4-8-28-22)13-31-9-6-23(7-10-31)21-19(11-20(25)34-21)24(26,27)15-33-23;5-1(3(7)8)2(6)4(9)10/h4-5,8,11,14H,6-7,9-10,12-13,15H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50004173
PNG
(CHEMBL3236484)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1c(F)cccc1CO
Show InChI InChI=1S/C23H23ClF3N3O2S.C4H6O6/c1-14-16(11-30(28-14)20-15(12-31)3-2-4-18(20)25)10-29-7-5-22(6-8-29)21-17(9-19(24)33-21)23(26,27)13-32-22;5-1(3(7)8)2(6)4(9)10/h2-4,9,11,31H,5-8,10,12-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50004175
PNG
(CHEMBL3236486)
Show SMILES Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1-c1ncc[nH]1
Show InChI InChI=1S/C24H23ClF2N6OS/c1-15-16(13-33(31-15)22-17(3-2-6-30-22)21-28-7-8-29-21)12-32-9-4-23(5-10-32)20-18(11-19(25)35-20)24(26,27)14-34-23/h2-3,6-8,11,13H,4-5,9-10,12,14H2,1H3,(H,28,29)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50004176
PNG
(CHEMBL3236487)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1CO
Show InChI InChI=1S/C22H23ClF2N4O2S.C4H6O6/c1-14-16(11-29(27-14)20-15(12-30)3-2-6-26-20)10-28-7-4-21(5-8-28)19-17(9-18(23)32-19)22(24,25)13-31-21;5-1(3(7)8)2(6)4(9)10/h2-3,6,9,11,30H,4-5,7-8,10,12-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50004161
PNG
(CHEMBL3236481)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1F
Show InChI InChI=1S/C21H20ClF3N4OS.C4H6O6/c1-13-14(11-29(27-13)19-16(23)3-2-6-26-19)10-28-7-4-20(5-8-28)18-15(9-17(22)31-18)21(24,25)12-30-20;5-1(3(7)8)2(6)4(9)10/h2-3,6,9,11H,4-5,7-8,10,12H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50004166
PNG
(CHEMBL3236482)
Show SMILES OC(C(O)C(O)=O)C(O)=O.CN(C)Cc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C25H28ClF3N4OS.C4H6O6/c1-16-18(14-33(30-16)22-17(12-31(2)3)5-4-6-20(22)27)13-32-9-7-24(8-10-32)23-19(11-21(26)35-23)25(28,29)15-34-24;5-1(3(7)8)2(6)4(9)10/h4-6,11,14H,7-10,12-13,15H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50004173
PNG
(CHEMBL3236484)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1c(F)cccc1CO
Show InChI InChI=1S/C23H23ClF3N3O2S.C4H6O6/c1-14-16(11-30(28-14)20-15(12-31)3-2-4-18(20)25)10-29-7-5-22(6-8-29)21-17(9-19(24)33-21)23(26,27)13-32-22;5-1(3(7)8)2(6)4(9)10/h2-4,9,11,31H,5-8,10,12-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50004171
PNG
(CHEMBL3236483)
Show SMILES OC(C(O)C(O)=O)C(O)=O.CN(C)Cc1cccnc1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C24H28ClF2N5OS.C4H6O6/c1-16-18(14-32(29-16)22-17(12-30(2)3)5-4-8-28-22)13-31-9-6-23(7-10-31)21-19(11-20(25)34-21)24(26,27)15-33-23;5-1(3(7)8)2(6)4(9)10/h4-5,8,11,14H,6-7,9-10,12-13,15H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50004176
PNG
(CHEMBL3236487)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1CO
Show InChI InChI=1S/C22H23ClF2N4O2S.C4H6O6/c1-14-16(11-29(27-14)20-15(12-30)3-2-6-26-20)10-28-7-4-21(5-8-28)19-17(9-18(23)32-19)22(24,25)13-31-21;5-1(3(7)8)2(6)4(9)10/h2-3,6,9,11,30H,4-5,7-8,10,12-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50004171
PNG
(CHEMBL3236483)
Show SMILES OC(C(O)C(O)=O)C(O)=O.CN(C)Cc1cccnc1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C24H28ClF2N5OS.C4H6O6/c1-16-18(14-32(29-16)22-17(12-30(2)3)5-4-8-28-22)13-31-9-6-23(7-10-31)21-19(11-20(25)34-21)24(26,27)15-33-23;5-1(3(7)8)2(6)4(9)10/h4-5,8,11,14H,6-7,9-10,12-13,15H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
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Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50004175
PNG
(CHEMBL3236486)
Show SMILES Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1-c1ncc[nH]1
Show InChI InChI=1S/C24H23ClF2N6OS/c1-15-16(13-33(31-15)22-17(3-2-6-30-22)21-28-7-8-29-21)12-32-9-4-23(5-10-32)20-18(11-19(25)35-20)24(26,27)14-34-23/h2-3,6-8,11,13H,4-5,9-10,12,14H2,1H3,(H,28,29)
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Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50004166
PNG
(CHEMBL3236482)
Show SMILES OC(C(O)C(O)=O)C(O)=O.CN(C)Cc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C25H28ClF3N4OS.C4H6O6/c1-16-18(14-33(30-16)22-17(12-31(2)3)5-4-6-20(22)27)13-32-9-7-24(8-10-32)23-19(11-21(26)35-23)25(28,29)15-34-24;5-1(3(7)8)2(6)4(9)10/h4-6,11,14H,7-10,12-13,15H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50004177
PNG
(CHEMBL3236488)
Show SMILES OC(C(O)C(O)=O)C(O)=O.COCc1cccnc1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C23H25ClF2N4O2S.C4H6O6/c1-15-17(12-30(28-15)21-16(13-31-2)4-3-7-27-21)11-29-8-5-22(6-9-29)20-18(10-19(24)33-20)23(25,26)14-32-22;5-1(3(7)8)2(6)4(9)10/h3-4,7,10,12H,5-6,8-9,11,13-14H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50004144
PNG
(CHEMBL3236480)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1c(F)cccc1F
Show InChI InChI=1S/C22H20ClF4N3OS.C4H6O6/c1-13-14(11-30(28-13)19-16(24)3-2-4-17(19)25)10-29-7-5-21(6-8-29)20-15(9-18(23)32-20)22(26,27)12-31-21;5-1(3(7)8)2(6)4(9)10/h2-4,9,11H,5-8,10,12H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50004174
PNG
(CHEMBL3236485)
Show SMILES OC(C(O)C(O)=O)C(O)=O.CNCc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C24H26ClF3N4OS.C4H6O6/c1-15-17(13-32(30-15)21-16(11-29-2)4-3-5-19(21)26)12-31-8-6-23(7-9-31)22-18(10-20(25)34-22)24(27,28)14-33-23;5-1(3(7)8)2(6)4(9)10/h3-5,10,13,29H,6-9,11-12,14H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50004144
PNG
(CHEMBL3236480)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1c(F)cccc1F
Show InChI InChI=1S/C22H20ClF4N3OS.C4H6O6/c1-13-14(11-30(28-13)19-16(24)3-2-4-17(19)25)10-29-7-5-21(6-8-29)20-15(9-18(23)32-20)22(26,27)12-31-21;5-1(3(7)8)2(6)4(9)10/h2-4,9,11H,5-8,10,12H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50004177
PNG
(CHEMBL3236488)
Show SMILES OC(C(O)C(O)=O)C(O)=O.COCc1cccnc1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C23H25ClF2N4O2S.C4H6O6/c1-15-17(12-30(28-15)21-16(13-31-2)4-3-7-27-21)11-29-8-5-22(6-9-29)20-18(10-19(24)33-20)23(25,26)14-32-22;5-1(3(7)8)2(6)4(9)10/h3-4,7,10,12H,5-6,8-9,11,13-14H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50004144
PNG
(CHEMBL3236480)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1c(F)cccc1F
Show InChI InChI=1S/C22H20ClF4N3OS.C4H6O6/c1-13-14(11-30(28-13)19-16(24)3-2-4-17(19)25)10-29-7-5-21(6-8-29)20-15(9-18(23)32-20)22(26,27)12-31-21;5-1(3(7)8)2(6)4(9)10/h2-4,9,11H,5-8,10,12H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50004177
PNG
(CHEMBL3236488)
Show SMILES OC(C(O)C(O)=O)C(O)=O.COCc1cccnc1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C23H25ClF2N4O2S.C4H6O6/c1-15-17(12-30(28-15)21-16(13-31-2)4-3-7-27-21)11-29-8-5-22(6-9-29)20-18(10-19(24)33-20)23(25,26)14-32-22;5-1(3(7)8)2(6)4(9)10/h3-4,7,10,12H,5-6,8-9,11,13-14H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50004174
PNG
(CHEMBL3236485)
Show SMILES OC(C(O)C(O)=O)C(O)=O.CNCc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C24H26ClF3N4OS.C4H6O6/c1-15-17(13-32(30-15)21-16(11-29-2)4-3-5-19(21)26)12-31-8-6-23(7-9-31)22-18(10-20(25)34-22)24(27,28)14-33-23;5-1(3(7)8)2(6)4(9)10/h3-5,10,13,29H,6-9,11-12,14H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50004174
PNG
(CHEMBL3236485)
Show SMILES OC(C(O)C(O)=O)C(O)=O.CNCc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C24H26ClF3N4OS.C4H6O6/c1-15-17(13-32(30-15)21-16(11-29-2)4-3-5-19(21)26)12-31-8-6-23(7-9-31)22-18(10-20(25)34-22)24(27,28)14-33-23;5-1(3(7)8)2(6)4(9)10/h3-5,10,13,29H,6-9,11-12,14H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50004166
PNG
(CHEMBL3236482)
Show SMILES OC(C(O)C(O)=O)C(O)=O.CN(C)Cc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C25H28ClF3N4OS.C4H6O6/c1-16-18(14-33(30-16)22-17(12-31(2)3)5-4-6-20(22)27)13-32-9-7-24(8-10-32)23-19(11-21(26)35-23)25(28,29)15-34-24;5-1(3(7)8)2(6)4(9)10/h4-6,11,14H,7-10,12-13,15H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50004176
PNG
(CHEMBL3236487)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1CO
Show InChI InChI=1S/C22H23ClF2N4O2S.C4H6O6/c1-14-16(11-29(27-14)20-15(12-30)3-2-6-26-20)10-28-7-4-21(5-8-28)19-17(9-18(23)32-19)22(24,25)13-31-21;5-1(3(7)8)2(6)4(9)10/h2-3,6,9,11,30H,4-5,7-8,10,12-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
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>375n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor after 120 mins by cell based assay


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%