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PubMed code 18624395

Compile data set for download or QSAR
Found 16 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))
BDBM50262295
PNG
(4-[(4R,7S,10S,13R)-10-(3-{[amino(iminiumyl)methyl]...)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C61H98N22O14S2/c1-34(51(89)79-41(21-13-25-70-60(66)67)53(91)78-39(50(65)88)19-9-11-23-62)75-57(95)45-33-99-98-32-44(58(96)81-42(22-14-26-71-61(68)69)54(92)80-40(55(93)82-45)20-10-12-24-63)77-48(87)31-74-59(97)49(35(2)84)83-56(94)43(28-37-17-7-4-8-18-37)76-47(86)30-72-46(85)29-73-52(90)38(64)27-36-15-5-3-6-16-36/h3-8,15-18,34-35,38-45,49,84H,9-14,19-33,62-64H2,1-2H3,(H2,65,88)(H,72,85)(H,73,90)(H,74,97)(H,75,95)(H,76,86)(H,77,87)(H,78,91)(H,79,89)(H,80,92)(H,81,96)(H,82,93)(H,83,94)(H4,66,67,70)(H4,68,69,71)/p+2/t34-,35+,38-,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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PubMed
0.100n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to human NOP receptor


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50262291
PNG
(4-[(3S,6S,9S,17S)-6-(3-{[amino(iminiumyl)methyl]am...)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C65H105N23O15/c1-37(55(95)84-45(24-15-29-75-64(70)71)58(98)83-42(54(69)94)21-9-12-26-66)80-57(97)43-23-11-14-28-74-49(90)33-48(61(101)87-46(25-16-30-76-65(72)73)60(100)86-44(59(99)85-43)22-10-13-27-67)82-52(93)36-79-63(103)53(38(2)89)88-62(102)47(32-40-19-7-4-8-20-40)81-51(92)35-77-50(91)34-78-56(96)41(68)31-39-17-5-3-6-18-39/h3-8,17-20,37-38,41-48,53,89H,9-16,21-36,66-68H2,1-2H3,(H2,69,94)(H,74,90)(H,77,91)(H,78,96)(H,79,103)(H,80,97)(H,81,92)(H,82,93)(H,83,98)(H,84,95)(H,85,99)(H,86,100)(H,87,101)(H,88,102)(H4,70,71,75)(H4,72,73,76)/p+2/t37-,38+,41-,42-,43-,44-,45-,46-,47-,48-,53-/m0/s1
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PubMed
0.270n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in CHO cells


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50262290
PNG
(4-[(3S,6S,9S,12S,20S)-6-(3-{[amino(iminiumyl)methy...)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C66H107N23O15/c1-37(55(95)84-46(25-16-30-76-65(71)72)59(99)83-43(54(70)94)22-10-13-27-67)80-58(98)44-24-12-15-29-75-50(91)34-49(62(102)81-38(2)56(96)85-47(26-17-31-77-66(73)74)61(101)87-45(60(100)86-44)23-11-14-28-68)88-64(104)53(39(3)90)89-63(103)48(33-41-20-8-5-9-21-41)82-52(93)36-78-51(92)35-79-57(97)42(69)32-40-18-6-4-7-19-40/h4-9,18-21,37-39,42-49,53,90H,10-17,22-36,67-69H2,1-3H3,(H2,70,94)(H,75,91)(H,78,92)(H,79,97)(H,80,98)(H,81,102)(H,82,93)(H,83,99)(H,84,95)(H,85,96)(H,86,100)(H,87,101)(H,88,104)(H,89,103)(H4,71,72,76)(H4,73,74,77)/p+2/t37-,38-,39+,42-,43-,44-,45-,46-,47-,48-,49-,53-/m0/s1
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Article
PubMed
0.340n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in CHO cells


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106479
PNG
(CHEMBL384755 | FGGFTGARKSARK | H-FGGFTGARKSARK-NH2...)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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Article
PubMed
0.350n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to human NOP receptor


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50262292
PNG
(CHEMBL507269 | [Asp6,Lys10]N/OFQ(1-13)NH2)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C66H109N23O16/c1-37(55(96)84-46(25-16-30-76-65(72)73)59(100)83-43(54(71)95)22-10-13-27-67)80-58(99)44(23-11-14-28-68)86-60(101)45(24-12-15-29-69)87-61(102)47(26-17-31-77-66(74)75)85-56(97)38(2)81-62(103)49(34-52(93)94)88-64(105)53(39(3)90)89-63(104)48(33-41-20-8-5-9-21-41)82-51(92)36-78-50(91)35-79-57(98)42(70)32-40-18-6-4-7-19-40/h4-9,18-21,37-39,42-49,53,90H,10-17,22-36,67-70H2,1-3H3,(H2,71,95)(H,78,91)(H,79,98)(H,80,99)(H,81,103)(H,82,92)(H,83,100)(H,84,96)(H,85,97)(H,86,101)(H,87,102)(H,88,105)(H,89,104)(H,93,94)(H4,72,73,76)(H4,74,75,77)/t37-,38-,39+,42-,43-,44-,45-,46-,47-,48-,49-,53-/m0/s1
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PubMed
0.540n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in CHO cells


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106479
PNG
(CHEMBL384755 | FGGFTGARKSARK | H-FGGFTGARKSARK-NH2...)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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PubMed
0.620n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in CHO cells


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106469
PNG
(CHEMBL269029 | FGGFTCARKCARK | cyclo[Cys6,Cys10]N/...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C62H100N22O14S2/c1-34(51(89)79-42(22-14-26-71-61(67)68)54(92)78-40(50(66)88)20-10-12-24-63)75-58(96)45-32-99-100-33-46(59(97)76-35(2)52(90)80-43(23-15-27-72-62(69)70)55(93)81-41(56(94)82-45)21-11-13-25-64)83-60(98)49(36(3)85)84-57(95)44(29-38-18-8-5-9-19-38)77-48(87)31-73-47(86)30-74-53(91)39(65)28-37-16-6-4-7-17-37/h4-9,16-19,34-36,39-46,49,85H,10-15,20-33,63-65H2,1-3H3,(H2,66,88)(H,73,86)(H,74,91)(H,75,96)(H,76,97)(H,77,87)(H,78,92)(H,79,89)(H,80,90)(H,81,93)(H,82,94)(H,83,98)(H,84,95)(H4,67,68,71)(H4,69,70,72)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,49-/m0/s1
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PubMed
0.830n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to human NOP receptor


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50262293
PNG
(CHEMBL507653 | [D-Asp7,Lys10]N/OFQ(1-13)NH2)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C65H107N23O16/c1-37(55(96)84-45(24-15-29-75-64(71)72)58(99)83-42(54(70)95)21-9-12-26-66)80-57(98)43(22-10-13-27-67)85-59(100)44(23-11-14-28-68)86-60(101)46(25-16-30-76-65(73)74)87-61(102)48(33-52(93)94)82-51(92)36-79-63(104)53(38(2)89)88-62(103)47(32-40-19-7-4-8-20-40)81-50(91)35-77-49(90)34-78-56(97)41(69)31-39-17-5-3-6-18-39/h3-8,17-20,37-38,41-48,53,89H,9-16,21-36,66-69H2,1-2H3,(H2,70,95)(H,77,90)(H,78,97)(H,79,104)(H,80,98)(H,81,91)(H,82,92)(H,83,99)(H,84,96)(H,85,100)(H,86,101)(H,87,102)(H,88,103)(H,93,94)(H4,71,72,75)(H4,73,74,76)/t37-,38+,41-,42-,43-,44-,45-,46-,47-,48+,53-/m0/s1
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1.79n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in CHO cells


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50262291
PNG
(4-[(3S,6S,9S,17S)-6-(3-{[amino(iminiumyl)methyl]am...)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C65H105N23O15/c1-37(55(95)84-45(24-15-29-75-64(70)71)58(98)83-42(54(69)94)21-9-12-26-66)80-57(97)43-23-11-14-28-74-49(90)33-48(61(101)87-46(25-16-30-76-65(72)73)60(100)86-44(59(99)85-43)22-10-13-27-67)82-52(93)36-79-63(103)53(38(2)89)88-62(102)47(32-40-19-7-4-8-20-40)81-51(92)35-77-50(91)34-78-56(96)41(68)31-39-17-5-3-6-18-39/h3-8,17-20,37-38,41-48,53,89H,9-16,21-36,66-68H2,1-2H3,(H2,69,94)(H,74,90)(H,77,91)(H,78,96)(H,79,103)(H,80,97)(H,81,92)(H,82,93)(H,83,98)(H,84,95)(H,85,99)(H,86,100)(H,87,101)(H,88,102)(H4,70,71,75)(H4,72,73,76)/p+2/t37-,38+,41-,42-,43-,44-,45-,46-,47-,48-,53-/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106469
PNG
(CHEMBL269029 | FGGFTCARKCARK | cyclo[Cys6,Cys10]N/...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C62H100N22O14S2/c1-34(51(89)79-42(22-14-26-71-61(67)68)54(92)78-40(50(66)88)20-10-12-24-63)75-58(96)45-32-99-100-33-46(59(97)76-35(2)52(90)80-43(23-15-27-72-62(69)70)55(93)81-41(56(94)82-45)21-11-13-25-64)83-60(98)49(36(3)85)84-57(95)44(29-38-18-8-5-9-19-38)77-48(87)31-73-47(86)30-74-53(91)39(65)28-37-16-6-4-7-17-37/h4-9,16-19,34-36,39-46,49,85H,10-15,20-33,63-65H2,1-3H3,(H2,66,88)(H,73,86)(H,74,91)(H,75,96)(H,76,97)(H,77,87)(H,78,92)(H,79,89)(H,80,90)(H,81,93)(H,82,94)(H,83,98)(H,84,95)(H4,67,68,71)(H4,69,70,72)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,49-/m0/s1
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n/an/an/an/a 31n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor by [35S]GTPgammaS binding assay


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106479
PNG
(CHEMBL384755 | FGGFTGARKSARK | H-FGGFTGARKSARK-NH2...)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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n/an/an/an/a 0.780n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor by [35S]GTPgammaS binding assay


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50262290
PNG
(4-[(3S,6S,9S,12S,20S)-6-(3-{[amino(iminiumyl)methy...)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C66H107N23O15/c1-37(55(95)84-46(25-16-30-76-65(71)72)59(99)83-43(54(70)94)22-10-13-27-67)80-58(98)44-24-12-15-29-75-50(91)34-49(62(102)81-38(2)56(96)85-47(26-17-31-77-66(73)74)61(101)87-45(60(100)86-44)23-11-14-28-68)88-64(104)53(39(3)90)89-63(103)48(33-41-20-8-5-9-21-41)82-52(93)36-78-51(92)35-79-57(97)42(69)32-40-18-6-4-7-19-40/h4-9,18-21,37-39,42-49,53,90H,10-17,22-36,67-69H2,1-3H3,(H2,70,94)(H,75,91)(H,78,92)(H,79,97)(H,80,98)(H,81,102)(H,82,93)(H,83,99)(H,84,95)(H,85,96)(H,86,100)(H,87,101)(H,88,104)(H,89,103)(H4,71,72,76)(H4,73,74,77)/p+2/t37-,38-,39+,42-,43-,44-,45-,46-,47-,48-,49-,53-/m0/s1
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n/an/an/an/a 4.12n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50262295
PNG
(4-[(4R,7S,10S,13R)-10-(3-{[amino(iminiumyl)methyl]...)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C61H98N22O14S2/c1-34(51(89)79-41(21-13-25-70-60(66)67)53(91)78-39(50(65)88)19-9-11-23-62)75-57(95)45-33-99-98-32-44(58(96)81-42(22-14-26-71-61(68)69)54(92)80-40(55(93)82-45)20-10-12-24-63)77-48(87)31-74-59(97)49(35(2)84)83-56(94)43(28-37-17-7-4-8-18-37)76-47(86)30-72-46(85)29-73-52(90)38(64)27-36-15-5-3-6-16-36/h3-8,15-18,34-35,38-45,49,84H,9-14,19-33,62-64H2,1-2H3,(H2,65,88)(H,72,85)(H,73,90)(H,74,97)(H,75,95)(H,76,86)(H,77,87)(H,78,91)(H,79,89)(H,80,92)(H,81,96)(H,82,93)(H,83,94)(H4,66,67,70)(H4,68,69,71)/p+2/t34-,35+,38-,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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n/an/an/an/a 0.690n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor by [35S]GTPgammaS binding assay


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50262292
PNG
(CHEMBL507269 | [Asp6,Lys10]N/OFQ(1-13)NH2)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C66H109N23O16/c1-37(55(96)84-46(25-16-30-76-65(72)73)59(100)83-43(54(71)95)22-10-13-27-67)80-58(99)44(23-11-14-28-68)86-60(101)45(24-12-15-29-69)87-61(102)47(26-17-31-77-66(74)75)85-56(97)38(2)81-62(103)49(34-52(93)94)88-64(105)53(39(3)90)89-63(104)48(33-41-20-8-5-9-21-41)82-51(92)36-78-50(91)35-79-57(98)42(70)32-40-18-6-4-7-19-40/h4-9,18-21,37-39,42-49,53,90H,10-17,22-36,67-70H2,1-3H3,(H2,71,95)(H,78,91)(H,79,98)(H,80,99)(H,81,103)(H,82,92)(H,83,100)(H,84,96)(H,85,97)(H,86,101)(H,87,102)(H,88,105)(H,89,104)(H,93,94)(H4,72,73,76)(H4,74,75,77)/t37-,38-,39+,42-,43-,44-,45-,46-,47-,48-,49-,53-/m0/s1
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n/an/an/an/a 22.3n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50262293
PNG
(CHEMBL507653 | [D-Asp7,Lys10]N/OFQ(1-13)NH2)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C65H107N23O16/c1-37(55(96)84-45(24-15-29-75-64(71)72)58(99)83-42(54(70)95)21-9-12-26-66)80-57(98)43(22-10-13-27-67)85-59(100)44(23-11-14-28-68)86-60(101)46(25-16-30-76-65(73)74)87-61(102)48(33-52(93)94)82-51(92)36-79-63(104)53(38(2)89)88-62(103)47(32-40-19-7-4-8-20-40)81-50(91)35-77-49(90)34-78-56(97)41(69)31-39-17-5-3-6-18-39/h3-8,17-20,37-38,41-48,53,89H,9-16,21-36,66-69H2,1-2H3,(H2,70,95)(H,77,90)(H,78,97)(H,79,104)(H,80,98)(H,81,91)(H,82,92)(H,83,99)(H,84,96)(H,85,100)(H,86,101)(H,87,102)(H,88,103)(H,93,94)(H4,71,72,75)(H4,73,74,76)/t37-,38+,41-,42-,43-,44-,45-,46-,47-,48+,53-/m0/s1
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n/an/an/an/a 106n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106479
PNG
(CHEMBL384755 | FGGFTGARKSARK | H-FGGFTGARKSARK-NH2...)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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n/an/an/an/a 7.82n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%