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Compile Data Set for Download or QSAR

Found 160 hits with Last Name = 'simonin' and Initial = 'f'   
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))
BDBM50173133
PNG
(CHEMBL3810319)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C51H73N17O9/c1-27-21-33(71)22-28(2)35(27)25-42(68-46(75)40(23-30-14-16-32(70)17-15-30)66-44(73)38(63-29(3)69)12-7-19-60-50(55)56)48(77)65-39(13-8-20-61-51(57)58)45(74)67-41(24-31-26-62-36-10-5-4-9-34(31)36)47(76)64-37(43(52)72)11-6-18-59-49(53)54/h4-5,9-10,14-17,21-22,26,37-42,62,70-71H,6-8,11-13,18-20,23-25H2,1-3H3,(H2,52,72)(H,63,69)(H,64,76)(H,65,77)(H,66,73)(H,67,74)(H,68,75)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t37-,38-,39-,40-,41-,42-/s2
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0.0400n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]OFQ/nociceptin from human nociceptin receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counti...


J Med Chem 59: 3777-92 (2016)


BindingDB Entry DOI: 10.7270/Q2T72KC6
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50173132
PNG
(CHEMBL3808650)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C49H68FN17O8/c1-27(68)62-36(10-5-21-59-48(54)55)42(71)65-39(24-29-14-18-32(69)19-15-29)45(74)66-38(23-28-12-16-31(50)17-13-28)44(73)64-37(11-6-22-60-49(56)57)43(72)67-40(25-30-26-61-34-8-3-2-7-33(30)34)46(75)63-35(41(51)70)9-4-20-58-47(52)53/h2-3,7-8,12-19,26,35-40,61,69H,4-6,9-11,20-25H2,1H3,(H2,51,70)(H,62,68)(H,63,75)(H,64,73)(H,65,71)(H,66,74)(H,67,72)(H4,52,53,58)(H4,54,55,59)(H4,56,57,60)/t35-,36-,37-,38-,39-,40-/s2
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0.0500n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]OFQ/nociceptin from human nociceptin receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counti...


J Med Chem 59: 3777-92 (2016)


BindingDB Entry DOI: 10.7270/Q2T72KC6
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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0.100n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like type, human Opioid receptor like 1 expressed in membrane homogenates of COS-1 or CHO cells


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50070386
PNG
(CHEMBL3408737)
Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1/C30H42N8O5/c1-17-12-21(39)13-18(2)22(17)15-23(31)27(41)36-24(8-5-10-35-30(33)34)28(42)37-25-14-19-6-3-4-7-20(19)16-38(29(25)43)11-9-26(32)40/h3-4,6-7,12-13,23-25,39H,5,8-11,14-16,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t23-,24+,25-/s2
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0.110n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation counti...


J Med Chem 59: 3777-92 (2016)


BindingDB Entry DOI: 10.7270/Q2T72KC6
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50402454
PNG
(CHEMBL2208337)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C28H32N6O3/c29-25(35)24(18-19-10-3-1-4-11-19)34-27(37)23(16-9-17-32-28(30)31)33-26(36)22-15-8-7-14-21(22)20-12-5-2-6-13-20/h1-8,10-15,23-24H,9,16-18H2,(H2,29,35)(H,33,36)(H,34,37)(H4,30,31,32)/t23-,24-/m0/s1
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0.320n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF1 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50173126
PNG
(CHEMBL3809510)
Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C44H70N14O9/c1-4-25(2)36(42(67)54-31(37(46)62)9-5-6-20-45)58-39(64)33(11-8-22-52-44(49)50)55-40(65)34(23-27-12-16-29(60)17-13-27)57-41(66)35(24-28-14-18-30(61)19-15-28)56-38(63)32(53-26(3)59)10-7-21-51-43(47)48/h12-19,25,31-36,60-61H,4-11,20-24,45H2,1-3H3,(H2,46,62)(H,53,59)(H,54,67)(H,55,65)(H,56,63)(H,57,66)(H,58,64)(H4,47,48,51)(H4,49,50,52)/t25-,31-,32-,33-,34-,35-,36+/s2
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0.530n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]OFQ/nociceptin from human nociceptin receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation coun...


J Med Chem 59: 3777-92 (2016)


BindingDB Entry DOI: 10.7270/Q2T72KC6
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50402442
PNG
(CHEMBL2208303)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r,w:11.10|
Show InChI InChI=1S/C24H30N6O3/c25-22(32)20(16-18-10-5-2-6-11-18)30-23(33)19(12-7-15-28-24(26)27)29-21(31)14-13-17-8-3-1-4-9-17/h1-6,8-11,13-14,19-20H,7,12,15-16H2,(H2,25,32)(H,29,31)(H,30,33)(H4,26,27,28)/t19-,20+/m1/s1
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0.800n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF1 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50402459
PNG
(CHEMBL2208301)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#6]-[#7]-1-c2ccccc2-[#16]-c2ccccc-12)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C30H35N7O3S/c31-28(39)22(19-20-9-2-1-3-10-20)36-29(40)21(11-8-17-34-30(32)33)35-27(38)16-18-37-23-12-4-6-14-25(23)41-26-15-7-5-13-24(26)37/h1-7,9-10,12-15,21-22H,8,11,16-19H2,(H2,31,39)(H,35,38)(H,36,40)(H4,32,33,34)/t21-,22-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF1 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50402449
PNG
(CHEMBL2208325)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C28H32N6O3/c29-25(35)24(18-19-8-3-1-4-9-19)34-27(37)23(12-7-17-32-28(30)31)33-26(36)22-15-13-21(14-16-22)20-10-5-2-6-11-20/h1-6,8-11,13-16,23-24H,7,12,17-18H2,(H2,29,35)(H,33,36)(H,34,37)(H4,30,31,32)/t23-,24+/m1/s1
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2n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF1 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50402453
PNG
(CHEMBL2208338)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1ccccc1-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C28H32N6O3/c29-25(35)24(18-19-10-3-1-4-11-19)34-27(37)23(16-9-17-32-28(30)31)33-26(36)22-15-8-7-14-21(22)20-12-5-2-6-13-20/h1-8,10-15,23-24H,9,16-18H2,(H2,29,35)(H,33,36)(H,34,37)(H4,30,31,32)/t23-,24+/m1/s1
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2n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF1 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM50402444
PNG
(CHEMBL2208319)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C29H34N6O3/c30-26(36)24(19-20-11-4-1-5-12-20)35-27(37)23(17-10-18-33-29(31)32)34-28(38)25(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23-25H,10,17-19H2,(H2,30,36)(H,34,38)(H,35,37)(H4,31,32,33)/t23-,24+/m1/s1
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4n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF2 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM50402453
PNG
(CHEMBL2208338)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1ccccc1-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C28H32N6O3/c29-25(35)24(18-19-10-3-1-4-11-19)34-27(37)23(16-9-17-32-28(30)31)33-26(36)22-15-8-7-14-21(22)20-12-5-2-6-13-20/h1-8,10-15,23-24H,9,16-18H2,(H2,29,35)(H,33,36)(H,34,37)(H4,30,31,32)/t23-,24+/m1/s1
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4n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF2 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50070386
PNG
(CHEMBL3408737)
Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1/C30H42N8O5/c1-17-12-21(39)13-18(2)22(17)15-23(31)27(41)36-24(8-5-10-35-30(33)34)28(42)37-25-14-19-6-3-4-7-20(19)16-38(29(25)43)11-9-26(32)40/h3-4,6-7,12-13,23-25,39H,5,8-11,14-16,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t23-,24+,25-/s2
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4.20n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation cou...


J Med Chem 59: 3777-92 (2016)


BindingDB Entry DOI: 10.7270/Q2T72KC6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50173127
PNG
(CHEMBL3808415)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C72H107N21O13/c1-5-40(2)60(68(105)86-52(61(75)98)15-8-9-28-73)92-65(102)55(18-12-31-84-72(80)81)88-66(103)56(35-43-19-23-47(94)24-20-43)90-67(104)57(36-44-21-25-48(95)26-22-44)89-63(100)53(16-10-29-82-70(76)77)85-59(97)27-32-93-39-46-14-7-6-13-45(46)37-58(69(93)106)91-64(101)54(17-11-30-83-71(78)79)87-62(99)51(74)38-50-41(3)33-49(96)34-42(50)4/h6-7,13-14,19-26,33-34,40,51-58,60,94-96H,5,8-12,15-18,27-32,35-39,73-74H2,1-4H3,(H2,75,98)(H,85,97)(H,86,105)(H,87,99)(H,88,103)(H,89,100)(H,90,104)(H,91,101)(H,92,102)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t40-,51-,52-,53-,54+,55-,56-,57-,58-,60-/s2
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5n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation counti...


J Med Chem 59: 3777-92 (2016)


BindingDB Entry DOI: 10.7270/Q2T72KC6
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50402452
PNG
(CHEMBL2208320)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1ccccc1-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C28H32N6O3/c29-25(35)24(18-19-10-3-1-4-11-19)34-27(37)23(16-9-17-32-28(30)31)33-26(36)22-15-8-7-14-21(22)20-12-5-2-6-13-20/h1-8,10-15,23-24H,9,16-18H2,(H2,29,35)(H,33,36)(H,34,37)(H4,30,31,32)/t23-,24-/m1/s1
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5n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF1 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50402451
PNG
(CHEMBL2208322)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1cccc(c1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C28H32N6O3/c29-25(35)24(17-19-9-3-1-4-10-19)34-27(37)23(15-8-16-32-28(30)31)33-26(36)22-14-7-13-21(18-22)20-11-5-2-6-12-20/h1-7,9-14,18,23-24H,8,15-17H2,(H2,29,35)(H,33,36)(H,34,37)(H4,30,31,32)/t23-,24+/m1/s1
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6n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF1 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
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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8.20n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding against human Opioid receptor like 1


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM50402451
PNG
(CHEMBL2208322)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1cccc(c1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C28H32N6O3/c29-25(35)24(17-19-9-3-1-4-10-19)34-27(37)23(15-8-16-32-28(30)31)33-26(36)22-14-7-13-21(18-22)20-11-5-2-6-12-20/h1-7,9-14,18,23-24H,8,15-17H2,(H2,29,35)(H,33,36)(H,34,37)(H4,30,31,32)/t23-,24+/m1/s1
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9n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF2 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50173130
PNG
(CHEMBL3808523)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r|
Show InChI InChI=1/C77H106N24O13/c1-42-33-51(104)34-43(2)53(42)39-54(78)66(107)95-58(17-9-30-90-76(84)85)69(110)100-63-37-46-11-3-4-12-47(46)41-101(73(63)114)32-27-64(105)93-57(16-8-29-89-75(82)83)67(108)97-61(36-45-21-25-50(103)26-22-45)71(112)98-60(35-44-19-23-49(102)24-20-44)70(111)96-59(18-10-31-91-77(86)87)68(109)99-62(38-48-40-92-55-14-6-5-13-52(48)55)72(113)94-56(65(79)106)15-7-28-88-74(80)81/h3-6,11-14,19-26,33-34,40,54,56-63,92,102-104H,7-10,15-18,27-32,35-39,41,78H2,1-2H3,(H2,79,106)(H,93,105)(H,94,113)(H,95,107)(H,96,111)(H,97,108)(H,98,112)(H,99,109)(H,100,110)(H4,80,81,88)(H4,82,83,89)(H4,84,85,90)(H4,86,87,91)/t54-,56-,57-,58+,59-,60-,61-,62-,63-/s2
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9.60n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation counti...


J Med Chem 59: 3777-92 (2016)


BindingDB Entry DOI: 10.7270/Q2T72KC6
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50402444
PNG
(CHEMBL2208319)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C29H34N6O3/c30-26(36)24(19-20-11-4-1-5-12-20)35-27(37)23(17-10-18-33-29(31)32)34-28(38)25(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23-25H,10,17-19H2,(H2,30,36)(H,34,38)(H,35,37)(H4,31,32,33)/t23-,24+/m1/s1
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10n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF1 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50402457
PNG
(CHEMBL2208340)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C22H28N6O3/c23-19(29)18(14-15-8-3-1-4-9-15)28-21(31)17(12-7-13-26-22(24)25)27-20(30)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2,(H2,23,29)(H,27,30)(H,28,31)(H4,24,25,26)/t17-,18+/m1/s1
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11n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF1 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50173128
PNG
(CHEMBL3808398)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r|
Show InChI InChI=1/C77H105FN24O12/c1-42-33-51(104)34-43(2)53(42)39-54(79)66(107)96-58(17-9-30-91-76(85)86)69(110)101-63-37-46-11-3-4-12-47(46)41-102(73(63)114)32-27-64(105)94-57(16-8-29-90-75(83)84)67(108)98-61(36-45-21-25-50(103)26-22-45)71(112)99-60(35-44-19-23-49(78)24-20-44)70(111)97-59(18-10-31-92-77(87)88)68(109)100-62(38-48-40-93-55-14-6-5-13-52(48)55)72(113)95-56(65(80)106)15-7-28-89-74(81)82/h3-6,11-14,19-26,33-34,40,54,56-63,93,103-104H,7-10,15-18,27-32,35-39,41,79H2,1-2H3,(H2,80,106)(H,94,105)(H,95,113)(H,96,107)(H,97,111)(H,98,108)(H,99,112)(H,100,109)(H,101,110)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t54-,56-,57-,58+,59-,60-,61-,62-,63-/s2
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15n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation counti...


J Med Chem 59: 3777-92 (2016)


BindingDB Entry DOI: 10.7270/Q2T72KC6
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50402443
PNG
(CHEMBL2208299)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C29H34N6O3/c30-26(36)24(19-20-11-4-1-5-12-20)35-27(37)23(17-10-18-33-29(31)32)34-28(38)25(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23-25H,10,17-19H2,(H2,30,36)(H,34,38)(H,35,37)(H4,31,32,33)/t23-,24-/m1/s1
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15n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF1 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50173129
PNG
(CHEMBL3810104)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r|
Show InChI InChI=1/C79H110N24O13/c1-42-31-51(105)32-43(2)54(42)38-56(80)68(109)97-60(19-11-28-92-78(86)87)71(112)102-65-36-47-13-5-6-14-48(47)41-103(75(65)116)30-25-66(107)95-59(18-10-27-91-77(84)85)69(110)99-62(35-46-21-23-50(104)24-22-46)72(113)101-64(39-55-44(3)33-52(106)34-45(55)4)74(115)98-61(20-12-29-93-79(88)89)70(111)100-63(37-49-40-94-57-16-8-7-15-53(49)57)73(114)96-58(67(81)108)17-9-26-90-76(82)83/h5-8,13-16,21-24,31-34,40,56,58-65,94,104-106H,9-12,17-20,25-30,35-39,41,80H2,1-4H3,(H2,81,108)(H,95,107)(H,96,114)(H,97,109)(H,98,115)(H,99,110)(H,100,111)(H,101,113)(H,102,112)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t56-,58-,59-,60+,61-,62-,63-,64-,65-/s2
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15n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation counti...


J Med Chem 59: 3777-92 (2016)


BindingDB Entry DOI: 10.7270/Q2T72KC6
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50336912
PNG
(Adamantane-1-carboxylic acid [(S)-1-((S)-1-carbamo...)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r,TLB:9:11:14:18.17.16,9:11:18:14.15.16,20:11:18:14.15.16,THB:20:15:18:12.11.19,19:11:14:18.17.16,19:17:14:12.11.20|
Show InChI InChI=1S/C26H38N6O3/c27-22(33)21(12-16-5-2-1-3-6-16)31-23(34)20(7-4-8-30-25(28)29)32-24(35)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-3,5-6,17-21H,4,7-15H2,(H2,27,33)(H,31,34)(H,32,35)(H4,28,29,30)/t17?,18?,19?,20-,21-,26?/m0/s1
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22n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF1 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50173129
PNG
(CHEMBL3810104)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r|
Show InChI InChI=1/C79H110N24O13/c1-42-31-51(105)32-43(2)54(42)38-56(80)68(109)97-60(19-11-28-92-78(86)87)71(112)102-65-36-47-13-5-6-14-48(47)41-103(75(65)116)30-25-66(107)95-59(18-10-27-91-77(84)85)69(110)99-62(35-46-21-23-50(104)24-22-46)72(113)101-64(39-55-44(3)33-52(106)34-45(55)4)74(115)98-61(20-12-29-93-79(88)89)70(111)100-63(37-49-40-94-57-16-8-7-15-53(49)57)73(114)96-58(67(81)108)17-9-26-90-76(82)83/h5-8,13-16,21-24,31-34,40,56,58-65,94,104-106H,9-12,17-20,25-30,35-39,41,80H2,1-4H3,(H2,81,108)(H,95,107)(H,96,114)(H,97,109)(H,98,115)(H,99,110)(H,100,111)(H,101,113)(H,102,112)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t56-,58-,59-,60+,61-,62-,63-,64-,65-/s2
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22n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation cou...


J Med Chem 59: 3777-92 (2016)


BindingDB Entry DOI: 10.7270/Q2T72KC6
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM50402457
PNG
(CHEMBL2208340)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C22H28N6O3/c23-19(29)18(14-15-8-3-1-4-9-15)28-21(31)17(12-7-13-26-22(24)25)27-20(30)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2,(H2,23,29)(H,27,30)(H,28,31)(H4,24,25,26)/t17-,18+/m1/s1
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22n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF2 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50402458
PNG
(CHEMBL2208339)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C22H28N6O3/c23-19(29)18(14-15-8-3-1-4-9-15)28-21(31)17(12-7-13-26-22(24)25)27-20(30)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2,(H2,23,29)(H,27,30)(H,28,31)(H4,24,25,26)/t17-,18-/m0/s1
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23n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF1 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50143267
PNG
(7-[(R)-2-((S)-2-Acetylamino-5-guanidino-pentanoyla...)
Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C42H66ClN13O7/c1-24(57)51-29(11-6-20-49-41(45)46)36(59)55-33(23-25-8-3-2-4-9-25)38(61)53-31-19-18-28-10-5-13-34(56(28)40(31)63)39(62)52-30(12-7-21-50-42(47)48)37(60)54-32(35(44)58)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,58)(H,51,57)(H,52,62)(H,53,61)(H,54,60)(H,55,59)(H4,45,46,49)(H4,47,48,50)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
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27n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor like 1 (hORL) was determined using [leucyl-3H]nociceptin in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50173128
PNG
(CHEMBL3808398)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r|
Show InChI InChI=1/C77H105FN24O12/c1-42-33-51(104)34-43(2)53(42)39-54(79)66(107)96-58(17-9-30-91-76(85)86)69(110)101-63-37-46-11-3-4-12-47(46)41-102(73(63)114)32-27-64(105)94-57(16-8-29-90-75(83)84)67(108)98-61(36-45-21-25-50(103)26-22-45)71(112)99-60(35-44-19-23-49(78)24-20-44)70(111)97-59(18-10-31-92-77(87)88)68(109)100-62(38-48-40-93-55-14-6-5-13-52(48)55)72(113)95-56(65(80)106)15-7-28-89-74(81)82/h3-6,11-14,19-26,33-34,40,54,56-63,93,103-104H,7-10,15-18,27-32,35-39,41,79H2,1-2H3,(H2,80,106)(H,94,105)(H,95,113)(H,96,107)(H,97,111)(H,98,108)(H,99,112)(H,100,109)(H,101,110)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t54-,56-,57-,58+,59-,60-,61-,62-,63-/s2
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27n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]OFQ/nociceptin from human nociceptin receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation coun...


J Med Chem 59: 3777-92 (2016)


BindingDB Entry DOI: 10.7270/Q2T72KC6
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50402440
PNG
(CHEMBL2208305)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r,TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C26H38N6O3/c27-22(33)21(12-16-5-2-1-3-6-16)31-23(34)20(7-4-8-30-25(28)29)32-24(35)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-3,5-6,17-21H,4,7-15H2,(H2,27,33)(H,31,34)(H,32,35)(H4,28,29,30)/t17?,18?,19?,20-,21+,26?/m1/s1
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29n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF1 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50070386
PNG
(CHEMBL3408737)
Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1/C30H42N8O5/c1-17-12-21(39)13-18(2)22(17)15-23(31)27(41)36-24(8-5-10-35-30(33)34)28(42)37-25-14-19-6-3-4-7-20(19)16-38(29(25)43)11-9-26(32)40/h3-4,6-7,12-13,23-25,39H,5,8-11,14-16,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t23-,24+,25-/s2
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30n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation cou...


J Med Chem 59: 3777-92 (2016)


BindingDB Entry DOI: 10.7270/Q2T72KC6
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50173127
PNG
(CHEMBL3808415)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C72H107N21O13/c1-5-40(2)60(68(105)86-52(61(75)98)15-8-9-28-73)92-65(102)55(18-12-31-84-72(80)81)88-66(103)56(35-43-19-23-47(94)24-20-43)90-67(104)57(36-44-21-25-48(95)26-22-44)89-63(100)53(16-10-29-82-70(76)77)85-59(97)27-32-93-39-46-14-7-6-13-45(46)37-58(69(93)106)91-64(101)54(17-11-30-83-71(78)79)87-62(99)51(74)38-50-41(3)33-49(96)34-42(50)4/h6-7,13-14,19-26,33-34,40,51-58,60,94-96H,5,8-12,15-18,27-32,35-39,73-74H2,1-4H3,(H2,75,98)(H,85,97)(H,86,105)(H,87,99)(H,88,103)(H,89,100)(H,90,104)(H,91,101)(H,92,102)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t40-,51-,52-,53-,54+,55-,56-,57-,58-,60-/s2
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33n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation cou...


J Med Chem 59: 3777-92 (2016)


BindingDB Entry DOI: 10.7270/Q2T72KC6
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50143272
PNG
(6-[2-((2S,3R)-2-Acetylamino-5-guanidino-pentanoyla...)
Show SMILES [H][C@]12[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]1-[#6@@H](-[#6]-[#16]2)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28?,29?,30+,31?,32-/m0/s1
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34n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor like 1 (hORL) was determined using [leucyl-3H]nociceptin in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50121316
PNG
(Ac-Arg-D-Cha-BTD-D-Arg-D-pClPhe-NH2 | CHEMBL358403)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28-,29?,30-,31+,32-/m0/s1
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34n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding against human Opioid receptor like 1


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50402446
PNG
(CHEMBL2208316)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C23H30N6O3/c24-21(31)19(14-16-8-3-1-4-9-16)29-22(32)18(12-7-13-27-23(25)26)28-20(30)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H2,24,31)(H,28,30)(H,29,32)(H4,25,26,27)/t18-,19+/m1/s1
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35n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF1 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50121313
PNG
(Ac-Arg-D-Cha-Qaa-D-Arg-D-pClPhe-NH2 | CHEMBL355931)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC[C@H]2CCC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C42H66ClN13O7/c1-24(57)51-29(11-6-20-49-41(45)46)36(59)55-33(23-25-8-3-2-4-9-25)38(61)53-31-19-18-28-10-5-13-34(56(28)40(31)63)39(62)52-30(12-7-21-50-42(47)48)37(60)54-32(35(44)58)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,58)(H,51,57)(H,52,62)(H,53,61)(H,54,60)(H,55,59)(H4,45,46,49)(H4,47,48,50)/t28-,29+,30-,31?,32?,33+,34+/m1/s1
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35n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding against human Opioid receptor like 1


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50173129
PNG
(CHEMBL3810104)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r|
Show InChI InChI=1/C79H110N24O13/c1-42-31-51(105)32-43(2)54(42)38-56(80)68(109)97-60(19-11-28-92-78(86)87)71(112)102-65-36-47-13-5-6-14-48(47)41-103(75(65)116)30-25-66(107)95-59(18-10-27-91-77(84)85)69(110)99-62(35-46-21-23-50(104)24-22-46)72(113)101-64(39-55-44(3)33-52(106)34-45(55)4)74(115)98-61(20-12-29-93-79(88)89)70(111)100-63(37-49-40-94-57-16-8-7-15-53(49)57)73(114)96-58(67(81)108)17-9-26-90-76(82)83/h5-8,13-16,21-24,31-34,40,56,58-65,94,104-106H,9-12,17-20,25-30,35-39,41,80H2,1-4H3,(H2,81,108)(H,95,107)(H,96,114)(H,97,109)(H,98,115)(H,99,110)(H,100,111)(H,101,113)(H,102,112)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t56-,58-,59-,60+,61-,62-,63-,64-,65-/s2
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38n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]OFQ/nociceptin from human nociceptin receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation coun...


J Med Chem 59: 3777-92 (2016)


BindingDB Entry DOI: 10.7270/Q2T72KC6
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50173131
PNG
(CHEMBL3810101)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C42H68N14O8/c1-3-24(2)34(40(64)52-30(35(45)59)9-4-5-19-43)56-37(61)31(10-7-21-51-42(48)49)53-38(62)33(23-26-13-17-28(58)18-14-26)55-39(63)32(22-25-11-15-27(57)16-12-25)54-36(60)29(44)8-6-20-50-41(46)47/h11-18,24,29-34,57-58H,3-10,19-23,43-44H2,1-2H3,(H2,45,59)(H,52,64)(H,53,62)(H,54,60)(H,55,63)(H,56,61)(H4,46,47,50)(H4,48,49,51)/t24-,29-,30-,31-,32-,33-,34-/s2
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39n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]OFQ/nociceptin from human nociceptin receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation coun...


J Med Chem 59: 3777-92 (2016)


BindingDB Entry DOI: 10.7270/Q2T72KC6
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50173127
PNG
(CHEMBL3808415)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C72H107N21O13/c1-5-40(2)60(68(105)86-52(61(75)98)15-8-9-28-73)92-65(102)55(18-12-31-84-72(80)81)88-66(103)56(35-43-19-23-47(94)24-20-43)90-67(104)57(36-44-21-25-48(95)26-22-44)89-63(100)53(16-10-29-82-70(76)77)85-59(97)27-32-93-39-46-14-7-6-13-45(46)37-58(69(93)106)91-64(101)54(17-11-30-83-71(78)79)87-62(99)51(74)38-50-41(3)33-49(96)34-42(50)4/h6-7,13-14,19-26,33-34,40,51-58,60,94-96H,5,8-12,15-18,27-32,35-39,73-74H2,1-4H3,(H2,75,98)(H,85,97)(H,86,105)(H,87,99)(H,88,103)(H,89,100)(H,90,104)(H,91,101)(H,92,102)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t40-,51-,52-,53-,54+,55-,56-,57-,58-,60-/s2
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42n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]OFQ/nociceptin from human nociceptin receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation coun...


J Med Chem 59: 3777-92 (2016)


BindingDB Entry DOI: 10.7270/Q2T72KC6
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM50336912
PNG
(Adamantane-1-carboxylic acid [(S)-1-((S)-1-carbamo...)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r,TLB:9:11:14:18.17.16,9:11:18:14.15.16,20:11:18:14.15.16,THB:20:15:18:12.11.19,19:11:14:18.17.16,19:17:14:12.11.20|
Show InChI InChI=1S/C26H38N6O3/c27-22(33)21(12-16-5-2-1-3-6-16)31-23(34)20(7-4-8-30-25(28)29)32-24(35)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-3,5-6,17-21H,4,7-15H2,(H2,27,33)(H,31,34)(H,32,35)(H4,28,29,30)/t17?,18?,19?,20-,21-,26?/m0/s1
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43n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF2 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50121312
PNG
(Ac-Arg-D-Cha-I2aa-D-Arg-D-pClPhe-NH2 | CHEMBL26660...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2SC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28-,29?,30-,31-,32+/m0/s1
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44n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding against human Opioid receptor like 1


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50143266
PNG
(7-[(R)-2-((S)-2-Acetylamino-5-ureido-pentanoylamin...)
Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(=O)CCCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C42H65ClN12O8/c1-24(56)50-29(11-7-21-49-42(47)63)36(58)54-33(23-25-8-3-2-4-9-25)38(60)52-31-19-18-28-10-5-13-34(55(28)40(31)62)39(61)51-30(12-6-20-48-41(45)46)37(59)53-32(35(44)57)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,57)(H,50,56)(H,51,61)(H,52,60)(H,53,59)(H,54,58)(H4,45,46,48)(H3,47,49,63)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
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45n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor like 1 (hORL) was determined using [leucyl-3H]nociceptin in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50173130
PNG
(CHEMBL3808523)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r|
Show InChI InChI=1/C77H106N24O13/c1-42-33-51(104)34-43(2)53(42)39-54(78)66(107)95-58(17-9-30-90-76(84)85)69(110)100-63-37-46-11-3-4-12-47(46)41-101(73(63)114)32-27-64(105)93-57(16-8-29-89-75(82)83)67(108)97-61(36-45-21-25-50(103)26-22-45)71(112)98-60(35-44-19-23-49(102)24-20-44)70(111)96-59(18-10-31-91-77(86)87)68(109)99-62(38-48-40-92-55-14-6-5-13-52(48)55)72(113)94-56(65(79)106)15-7-28-88-74(80)81/h3-6,11-14,19-26,33-34,40,54,56-63,92,102-104H,7-10,15-18,27-32,35-39,41,78H2,1-2H3,(H2,79,106)(H,93,105)(H,94,113)(H,95,107)(H,96,111)(H,97,108)(H,98,112)(H,99,109)(H,100,110)(H4,80,81,88)(H4,82,83,89)(H4,84,85,90)(H4,86,87,91)/t54-,56-,57-,58+,59-,60-,61-,62-,63-/s2
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47n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]OFQ/nociceptin from human nociceptin receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation coun...


J Med Chem 59: 3777-92 (2016)


BindingDB Entry DOI: 10.7270/Q2T72KC6
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM50402447
PNG
(CHEMBL2208312)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccc2ccccc2n1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C25H29N7O3/c26-22(33)21(15-16-7-2-1-3-8-16)32-23(34)19(11-6-14-29-25(27)28)31-24(35)20-13-12-17-9-4-5-10-18(17)30-20/h1-5,7-10,12-13,19,21H,6,11,14-15H2,(H2,26,33)(H,31,35)(H,32,34)(H4,27,28,29)/t19-,21-/m0/s1
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47n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF2 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50173130
PNG
(CHEMBL3808523)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r|
Show InChI InChI=1/C77H106N24O13/c1-42-33-51(104)34-43(2)53(42)39-54(78)66(107)95-58(17-9-30-90-76(84)85)69(110)100-63-37-46-11-3-4-12-47(46)41-101(73(63)114)32-27-64(105)93-57(16-8-29-89-75(82)83)67(108)97-61(36-45-21-25-50(103)26-22-45)71(112)98-60(35-44-19-23-49(102)24-20-44)70(111)96-59(18-10-31-91-77(86)87)68(109)99-62(38-48-40-92-55-14-6-5-13-52(48)55)72(113)94-56(65(79)106)15-7-28-88-74(80)81/h3-6,11-14,19-26,33-34,40,54,56-63,92,102-104H,7-10,15-18,27-32,35-39,41,78H2,1-2H3,(H2,79,106)(H,93,105)(H,94,113)(H,95,107)(H,96,111)(H,97,108)(H,98,112)(H,99,109)(H,100,110)(H4,80,81,88)(H4,82,83,89)(H4,84,85,90)(H4,86,87,91)/t54-,56-,57-,58+,59-,60-,61-,62-,63-/s2
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47n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation cou...


J Med Chem 59: 3777-92 (2016)


BindingDB Entry DOI: 10.7270/Q2T72KC6
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50402438
PNG
(CHEMBL2208307)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r,TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C26H38N6O3/c27-22(33)21(12-16-5-2-1-3-6-16)31-23(34)20(7-4-8-30-25(28)29)32-24(35)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-3,5-6,17-21H,4,7-15H2,(H2,27,33)(H,31,34)(H,32,35)(H4,28,29,30)/t17?,18?,19?,20-,21-,26?/m1/s1
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51n/an/an/an/an/an/an/an/a



University of Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF1 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 22: 7471-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.049
BindingDB Entry DOI: 10.7270/Q2FF3THX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50143272
PNG
(6-[2-((2S,3R)-2-Acetylamino-5-guanidino-pentanoyla...)
Show SMILES [H][C@]12[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]1-[#6@@H](-[#6]-[#16]2)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28?,29?,30+,31?,32-/m0/s1
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53n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor mu 1 (hMOR) was determined using [3H]diprenorphine in vitro transfected to COS-1 cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50121316
PNG
(Ac-Arg-D-Cha-BTD-D-Arg-D-pClPhe-NH2 | CHEMBL358403)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28-,29?,30-,31+,32-/m0/s1
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53n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding using COS-human Opioid receptor mu 1 membranes


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50143270
PNG
(7-[(R)-2-((S)-2-Acetylamino-5-guanidino-pentanoyla...)
Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C42H65ClN12O8/c1-24(56)50-29(11-6-20-48-41(45)46)36(58)54-33(23-25-8-3-2-4-9-25)38(60)52-31-19-18-28-10-5-13-34(55(28)40(31)62)39(61)51-30(12-7-21-49-42(47)63)37(59)53-32(35(44)57)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,57)(H,50,56)(H,51,61)(H,52,60)(H,53,59)(H,54,58)(H4,45,46,48)(H3,47,49,63)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
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72n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor like 1 (hORL) was determined using [leucyl-3H]nociceptin in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
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