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Compile Data Set for Download or QSAR

Found 1488 hits with Last Name = 'adam' and Initial = 'g'   
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
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM85212
PNG
(CAS_5311260 | LY341495 | NSC_5311260)
Show SMILES NC(Cn1cnc2c1[nH]c(=O)[nH]c2=O)(C1CC1C(O)=O)C(O)=O
Show InChI InChI=1S/C12H13N5O6/c13-12(10(21)22,5-1-4(5)9(19)20)2-17-3-14-6-7(17)15-11(23)16-8(6)18/h3-5H,1-2,13H2,(H,19,20)(H,21,22)(H2,15,16,18,23)
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0.0780n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Neurochem 71: 2558-64 (1998)


Article DOI: 10.1046/j.1471-4159.1998.71062558.x
BindingDB Entry DOI: 10.7270/Q25D8QCZ
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087691
PNG
(8-(4-Isopropyl-cyclohexyl)-1-phenyl-1,3,8-triaza-s...)
Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:6.9,3.2,(2.69,-2.68,;3.46,-4.01,;2.69,-5.35,;5,-4.02,;5.77,-2.69,;7.31,-2.69,;8.06,-4.02,;7.31,-5.35,;5.77,-5.35,;9.6,-4.02,;10.37,-2.68,;11.91,-2.67,;12.68,-4.01,;11.91,-5.34,;10.37,-5.34,;13.56,-5.26,;15.03,-4.79,;15.03,-3.25,;13.59,-2.76,;13.1,-1.31,;13.1,-6.7,;11.58,-7.03,;11.11,-8.49,;12.14,-9.64,;13.66,-9.32,;14.12,-7.85,)|
Show InChI InChI=1S/C22H33N3O/c1-17(2)18-8-10-19(11-9-18)24-14-12-22(13-15-24)21(26)23-16-25(22)20-6-4-3-5-7-20/h3-7,17-19H,8-16H2,1-2H3,(H,23,26)/t18-,19+
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0.0790n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087692
PNG
(8-Cyclodecyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCC1
Show InChI InChI=1S/C23H35N3O/c27-22-23(26(19-24-22)21-13-9-6-10-14-21)15-17-25(18-16-23)20-11-7-4-2-1-3-5-8-12-20/h6,9-10,13-14,20H,1-5,7-8,11-12,15-19H2,(H,24,27)
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0.0820n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027473
PNG
(3-Methyl-1-phenethyl-4-(phenyl-propionyl-amino)-pi...)
Show SMILES CCC(=O)N(c1ccccc1)[C@]1(CCN(CCc2ccccc2)C[C@H]1C)C(=O)OC
Show InChI InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m1/s1
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0.140n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor mu 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057010
PNG
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24+,28-,29-,30-,33-,34-/m0/s1
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0.190n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [Ile5,6-3H]-deltorphin to membrane from baby hamster kidney cells infected with forest virus encoding the ...


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50087697
PNG
(8-Cycloundecyl-1-phenyl-1,3,8-triaza-spiro[4.5]dec...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCCC1
Show InChI InChI=1S/C24H37N3O/c28-23-24(27(20-25-23)22-14-10-7-11-15-22)16-18-26(19-17-24)21-12-8-5-3-1-2-4-6-9-13-21/h7,10-11,14-15,21H,1-6,8-9,12-13,16-20H2,(H,25,28)
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0.210n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the...


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087687
PNG
(8-Cyclononyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCC1
Show InChI InChI=1S/C22H33N3O/c26-21-22(25(18-23-21)20-12-8-5-9-13-20)14-16-24(17-15-22)19-10-6-3-1-2-4-7-11-19/h5,8-9,12-13,19H,1-4,6-7,10-11,14-18H2,(H,23,26)
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0.240n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50087685
PNG
(8-Cyclododecyl-1-phenyl-1,3,8-triaza-spiro[4.5]dec...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCCCC1
Show InChI InChI=1S/C25H39N3O/c29-24-25(28(21-26-24)23-15-11-8-12-16-23)17-19-27(20-18-25)22-13-9-6-4-2-1-3-5-7-10-14-22/h8,11-12,15-16,22H,1-7,9-10,13-14,17-21H2,(H,26,29)
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0.280n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the...


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50034503
PNG
((1R,2R)-3-((S)-Amino-carboxy-methyl)-cyclopropane-...)
Show SMILES N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1
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0.368n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Neurochem 71: 2558-64 (1998)


Article DOI: 10.1046/j.1471-4159.1998.71062558.x
BindingDB Entry DOI: 10.7270/Q25D8QCZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50004899
PNG
((1R,2S)-2-((S)-Amino-carboxy-methyl)-cyclopropanec...)
Show SMILES N[C@@H]([C@H]1C[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3+,4-/m0/s1
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0.378n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Neurochem 71: 2558-64 (1998)


Article DOI: 10.1046/j.1471-4159.1998.71062558.x
BindingDB Entry DOI: 10.7270/Q25D8QCZ
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087698
PNG
(8-(R)-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)/t22-/m1/s1
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0.410n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087697
PNG
(8-Cycloundecyl-1-phenyl-1,3,8-triaza-spiro[4.5]dec...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCCC1
Show InChI InChI=1S/C24H37N3O/c28-23-24(27(20-25-23)22-14-10-7-11-15-22)16-18-26(19-17-24)21-12-8-5-3-1-2-4-6-9-13-21/h7,10-11,14-15,21H,1-6,8-9,12-13,16-20H2,(H,25,28)
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0.490n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50087016
PNG
(8-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)
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0.520n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding affinity against transfected HEK293 cells expressing human Opioid receptor like 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50087692
PNG
(8-Cyclodecyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCC1
Show InChI InChI=1S/C23H35N3O/c27-22-23(26(19-24-22)21-13-9-6-10-14-21)15-17-25(18-16-23)20-11-7-4-2-1-3-5-8-12-20/h6,9-10,13-14,20H,1-5,7-8,11-12,15-19H2,(H,24,27)
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0.660n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the...


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50087008
PNG
(8-indan-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCc2ccccc12
Show InChI InChI=1S/C22H25N3O/c26-21-22(25(16-23-21)18-7-2-1-3-8-18)12-14-24(15-13-22)20-11-10-17-6-4-5-9-19(17)20/h1-9,20H,10-16H2,(H,23,26)
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0.700n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding affinity against transfected HEK293 cells expressing Opioid receptor like 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50087697
PNG
(8-Cycloundecyl-1-phenyl-1,3,8-triaza-spiro[4.5]dec...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCCC1
Show InChI InChI=1S/C24H37N3O/c28-23-24(27(20-25-23)22-14-10-7-11-15-22)16-18-26(19-17-24)21-12-8-5-3-1-2-4-6-9-13-21/h7,10-11,14-15,21H,1-6,8-9,12-13,16-20H2,(H,25,28)
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0.820n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the...


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087685
PNG
(8-Cyclododecyl-1-phenyl-1,3,8-triaza-spiro[4.5]dec...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCCCC1
Show InChI InChI=1S/C25H39N3O/c29-24-25(28(21-26-24)23-15-11-8-12-16-23)17-19-27(20-18-25)22-13-9-6-4-2-1-3-5-7-10-14-22/h8,11-12,15-16,22H,1-7,9-10,13-14,17-21H2,(H,26,29)
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0.950n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50087011
PNG
(8-(5-Methyl-1,2,3,4-tetrahydro-naphthalen-1-yl)-1-...)
Show SMILES Cc1cccc2C(CCCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C24H29N3O/c1-18-7-5-11-21-20(18)10-6-12-22(21)26-15-13-24(14-16-26)23(28)25-17-27(24)19-8-3-2-4-9-19/h2-5,7-9,11,22H,6,10,12-17H2,1H3,(H,25,28)
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1.40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding affinity against transfected HEK293 cells expressing human Opioid receptor like 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50087690
PNG
(8-Bicyclohexyl-4-yl-1-phenyl-1,3,8-triaza-spiro[4....)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CC[C@@H](CC1)C1CCCCC1 |wU:17.19,20.26,(14.26,-1.31,;14.73,-2.76,;16.19,-3.25,;16.19,-4.79,;14.72,-5.26,;14.26,-6.7,;12.74,-7.03,;12.27,-8.49,;13.3,-9.64,;14.8,-9.32,;15.28,-7.85,;13.82,-4.01,;13.07,-2.67,;11.53,-2.68,;10.76,-4.02,;11.53,-5.34,;13.07,-5.34,;9.22,-4.02,;8.45,-2.69,;6.91,-2.69,;6.14,-4.02,;6.91,-5.35,;8.47,-5.35,;4.6,-4.01,;3.85,-5.35,;2.29,-5.34,;1.54,-4,;2.31,-2.67,;3.85,-2.68,)|
Show InChI InChI=1S/C25H37N3O/c29-24-25(28(19-26-24)23-9-5-2-6-10-23)15-17-27(18-16-25)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h2,5-6,9-10,20-22H,1,3-4,7-8,11-19H2,(H,26,29)/t21-,22+
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1.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the...


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087690
PNG
(8-Bicyclohexyl-4-yl-1-phenyl-1,3,8-triaza-spiro[4....)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CC[C@@H](CC1)C1CCCCC1 |wU:17.19,20.26,(14.26,-1.31,;14.73,-2.76,;16.19,-3.25,;16.19,-4.79,;14.72,-5.26,;14.26,-6.7,;12.74,-7.03,;12.27,-8.49,;13.3,-9.64,;14.8,-9.32,;15.28,-7.85,;13.82,-4.01,;13.07,-2.67,;11.53,-2.68,;10.76,-4.02,;11.53,-5.34,;13.07,-5.34,;9.22,-4.02,;8.45,-2.69,;6.91,-2.69,;6.14,-4.02,;6.91,-5.35,;8.47,-5.35,;4.6,-4.01,;3.85,-5.35,;2.29,-5.34,;1.54,-4,;2.31,-2.67,;3.85,-2.68,)|
Show InChI InChI=1S/C25H37N3O/c29-24-25(28(19-26-24)23-9-5-2-6-10-23)15-17-27(18-16-25)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h2,5-6,9-10,20-22H,1,3-4,7-8,11-19H2,(H,26,29)/t21-,22+
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1.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087684
PNG
(8-Cyclooctyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C21H31N3O/c25-20-21(24(17-22-20)19-11-7-4-8-12-19)13-15-23(16-14-21)18-9-5-2-1-3-6-10-18/h4,7-8,11-12,18H,1-3,5-6,9-10,13-17H2,(H,22,25)
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1.90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087693
PNG
(1-Phenyl-8-(4-propyl-cyclohexyl)-1,3,8-triaza-spir...)
Show SMILES CCC[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:6.9,3.2,(1.92,-2.67,;3.46,-2.68,;4.23,-4.01,;5.77,-4.02,;6.54,-2.69,;8.08,-2.69,;8.83,-4.02,;8.08,-5.35,;6.54,-5.35,;10.37,-4.02,;11.14,-2.68,;12.68,-2.67,;13.45,-4.01,;12.68,-5.34,;11.14,-5.34,;14.33,-5.26,;15.8,-4.79,;15.8,-3.25,;14.36,-2.76,;13.87,-1.31,;13.87,-6.7,;12.35,-7.03,;11.88,-8.49,;12.91,-9.64,;14.43,-9.32,;14.89,-7.85,)|
Show InChI InChI=1S/C22H33N3O/c1-2-6-18-9-11-19(12-10-18)24-15-13-22(14-16-24)21(26)23-17-25(22)20-7-4-3-5-8-20/h3-5,7-8,18-19H,2,6,9-17H2,1H3,(H,23,26)/t18-,19+
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2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50087015
PNG
(1-Phenyl-8-(1,2,3,4-tetrahydro-naphthalen-1-yl)-1,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H27N3O/c27-22-23(26(17-24-22)19-9-2-1-3-10-19)13-15-25(16-14-23)21-12-6-8-18-7-4-5-11-20(18)21/h1-5,7,9-11,21H,6,8,12-17H2,(H,24,27)
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2.10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding affinity against transfected HEK293 cells expressing Opioid receptor like 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50087692
PNG
(8-Cyclodecyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCC1
Show InChI InChI=1S/C23H35N3O/c27-22-23(26(19-24-22)21-13-9-6-10-14-21)15-17-25(18-16-23)20-11-7-4-2-1-3-5-8-12-20/h6,9-10,13-14,20H,1-5,7-8,11-12,15-19H2,(H,24,27)
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2.10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the...


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50087022
PNG
(8-Indan-2-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2ccccc2C1
Show InChI InChI=1S/C22H25N3O/c26-21-22(25(16-23-21)19-8-2-1-3-9-19)10-12-24(13-11-22)20-14-17-6-4-5-7-18(17)15-20/h1-9,20H,10-16H2,(H,23,26)
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2.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding affinity against transfected HEK293 cells expressing human Opioid receptor like 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50087002
PNG
(1-Phenyl-8-(1,2,3,4-tetrahydro-naphthalen-1-yl)-1,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H27N3O/c27-22-23(26(17-24-22)19-9-2-1-3-10-19)13-15-25(16-14-23)21-12-6-8-18-7-4-5-11-20(18)21/h1-5,7,9-11,21H,6,8,12-17H2,(H,24,27)/t21-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding affinity against transfected HEK293 cells expressing Opioid receptor like 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087004
PNG
(8-(5,8-Dichloro-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES CN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3c(Cl)ccc(Cl)c3C2)C1=O
Show InChI InChI=1S/C24H27Cl2N3O/c1-27-16-29(17-5-3-2-4-6-17)24(23(27)30)11-13-28(14-12-24)18-7-8-19-20(15-18)22(26)10-9-21(19)25/h2-6,9-10,18H,7-8,11-16H2,1H3
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2.60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50087020
PNG
(8-(5,8-Dichloro-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES Clc1ccc(Cl)c2C[C@H](CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H25Cl2N3O/c24-20-8-9-21(25)19-14-17(6-7-18(19)20)27-12-10-23(11-13-27)22(29)26-15-28(23)16-4-2-1-3-5-16/h1-5,8-9,17H,6-7,10-15H2,(H,26,29)/t17-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assay


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50087012
PNG
(8-(5-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-1-...)
Show SMILES Clc1cccc2CC(CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26ClN3O/c24-21-8-4-5-17-15-19(9-10-20(17)21)26-13-11-23(12-14-26)22(28)25-16-27(23)18-6-2-1-3-7-18/h1-8,19H,9-16H2,(H,25,28)
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2.90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assay


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50087685
PNG
(8-Cyclododecyl-1-phenyl-1,3,8-triaza-spiro[4.5]dec...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCCCC1
Show InChI InChI=1S/C25H39N3O/c29-24-25(28(21-26-24)23-15-11-8-12-16-23)17-19-27(20-18-25)22-13-9-6-4-2-1-3-5-7-10-14-22/h8,11-12,15-16,22H,1-7,9-10,13-14,17-21H2,(H,26,29)
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2.90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the...


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50087691
PNG
(8-(4-Isopropyl-cyclohexyl)-1-phenyl-1,3,8-triaza-s...)
Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:6.9,3.2,(2.69,-2.68,;3.46,-4.01,;2.69,-5.35,;5,-4.02,;5.77,-2.69,;7.31,-2.69,;8.06,-4.02,;7.31,-5.35,;5.77,-5.35,;9.6,-4.02,;10.37,-2.68,;11.91,-2.67,;12.68,-4.01,;11.91,-5.34,;10.37,-5.34,;13.56,-5.26,;15.03,-4.79,;15.03,-3.25,;13.59,-2.76,;13.1,-1.31,;13.1,-6.7,;11.58,-7.03,;11.11,-8.49,;12.14,-9.64,;13.66,-9.32,;14.12,-7.85,)|
Show InChI InChI=1S/C22H33N3O/c1-17(2)18-8-10-19(11-9-18)24-14-12-22(13-15-24)21(26)23-16-25(22)20-6-4-3-5-7-20/h3-7,17-19H,8-16H2,1-2H3,(H,23,26)/t18-,19+
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3.20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the...


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50087687
PNG
(8-Cyclononyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCC1
Show InChI InChI=1S/C22H33N3O/c26-21-22(25(18-23-21)20-12-8-5-9-13-20)14-16-24(17-15-22)19-10-6-3-1-2-4-7-11-19/h5,8-9,12-13,19H,1-4,6-7,10-11,14-18H2,(H,23,26)
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3.20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the...


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50087004
PNG
(8-(5,8-Dichloro-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES CN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3c(Cl)ccc(Cl)c3C2)C1=O
Show InChI InChI=1S/C24H27Cl2N3O/c1-27-16-29(17-5-3-2-4-6-17)24(23(27)30)11-13-28(14-12-24)18-7-8-19-20(15-18)22(26)10-9-21(19)25/h2-6,9-10,18H,7-8,11-16H2,1H3
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3.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assay


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087683
PNG
(8-(4-tert-Butyl-cyclohexyl)-1-phenyl-1,3,8-triaza-...)
Show SMILES CC(C)(C)[C@@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:7.10,4.3,(3.06,-2.68,;3.83,-4.01,;3.06,-5.35,;2.29,-4,;5.37,-4.02,;6.14,-5.35,;7.7,-5.35,;8.45,-4.02,;7.68,-2.69,;6.14,-2.69,;9.99,-4.02,;10.76,-2.68,;12.3,-2.67,;13.05,-4.01,;12.3,-5.34,;10.76,-5.34,;13.95,-5.26,;15.42,-4.79,;15.42,-3.25,;13.96,-2.76,;13.49,-1.31,;13.49,-6.7,;14.51,-7.85,;14.03,-9.32,;12.53,-9.64,;11.5,-8.49,;11.97,-7.03,)|
Show InChI InChI=1S/C23H35N3O/c1-22(2,3)18-9-11-19(12-10-18)25-15-13-23(14-16-25)21(27)24-17-26(23)20-7-5-4-6-8-20/h4-8,18-19H,9-17H2,1-3H3,(H,24,27)/t18-,19+
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3.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087003
PNG
(8-(8-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-3-...)
Show SMILES OCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3cccc(Cl)c3C2)C1=O
Show InChI InChI=1S/C25H30ClN3O2/c26-23-8-4-5-19-9-10-21(17-22(19)23)27-13-11-25(12-14-27)24(31)28(15-16-30)18-29(25)20-6-2-1-3-7-20/h1-8,21,30H,9-18H2
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3.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087008
PNG
(8-indan-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCc2ccccc12
Show InChI InChI=1S/C22H25N3O/c26-21-22(25(16-23-21)18-7-2-1-3-8-18)12-14-24(15-13-22)20-11-10-17-6-4-5-9-19(17)20/h1-9,20H,10-16H2,(H,23,26)
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3.40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor mu 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50087687
PNG
(8-Cyclononyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCC1
Show InChI InChI=1S/C22H33N3O/c26-21-22(25(18-23-21)20-12-8-5-9-13-20)14-16-24(17-15-22)19-10-6-3-1-2-4-7-11-19/h5,8-9,12-13,19H,1-4,6-7,10-11,14-18H2,(H,23,26)
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3.90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the...


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50087698
PNG
(8-(R)-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)/t22-/m1/s1
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4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the...


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087689
PNG
(8-(4-Isopropyl-cyclohexyl)-1-phenyl-1,3,8-triaza-s...)
Show SMILES CC(C)[C@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:6.9,wD:3.2,(2.69,-2.68,;3.46,-4.01,;2.69,-5.35,;5,-4.02,;5.77,-5.35,;7.31,-5.35,;8.06,-4.02,;7.31,-2.69,;5.77,-2.69,;9.6,-4.02,;10.37,-2.68,;11.91,-2.67,;12.68,-4.01,;11.91,-5.34,;10.37,-5.34,;13.56,-5.26,;15.03,-4.79,;15.03,-3.25,;13.59,-2.76,;13.1,-1.31,;13.1,-6.7,;11.58,-7.03,;11.11,-8.49,;12.14,-9.64,;13.66,-9.32,;14.12,-7.85,)|
Show InChI InChI=1S/C22H33N3O/c1-17(2)18-8-10-19(11-9-18)24-14-12-22(13-15-24)21(26)23-16-25(22)20-6-4-3-5-7-20/h3-7,17-19H,8-16H2,1-2H3,(H,23,26)/t18-,19-
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4.60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087686
PNG
(8-Cycloheptyl-1-phenyl-1,3,8-triaza-spiro[4.5]deca...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCC1
Show InChI InChI=1S/C20H29N3O/c24-19-20(23(16-21-19)18-10-6-3-7-11-18)12-14-22(15-13-20)17-8-4-1-2-5-9-17/h3,6-7,10-11,17H,1-2,4-5,8-9,12-16H2,(H,21,24)
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4.70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50217050
PNG
(CHEMBL322885)
Show SMILES CS(=O)(=O)N1CC2C(C(=O)N(C2=O)c2ccccc2)C11CCN(CC1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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5.10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3073-6 (2002)

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


(Homo sapiens (Human))
BDBM50087008
PNG
(8-indan-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCc2ccccc12
Show InChI InChI=1S/C22H25N3O/c26-21-22(25(16-23-21)18-7-2-1-3-8-18)12-14-24(15-13-22)20-11-10-17-6-4-5-9-19(17)20/h1-9,20H,10-16H2,(H,23,26)
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5.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor kappa 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027473
PNG
(3-Methyl-1-phenethyl-4-(phenyl-propionyl-amino)-pi...)
Show SMILES CCC(=O)N(c1ccccc1)[C@]1(CCN(CCc2ccccc2)C[C@H]1C)C(=O)OC
Show InChI InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m1/s1
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5.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor kappa 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50087005
PNG
(8-(5,8-Dichloro-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H25Cl2N3O/c24-20-8-9-21(25)19-14-17(6-7-18(19)20)27-12-10-23(11-13-27)22(29)26-15-28(23)16-4-2-1-3-5-16/h1-5,8-9,17H,6-7,10-15H2,(H,26,29)
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5.60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assay


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50087007
PNG
(8-(7-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-1-...)
Show SMILES Clc1ccc2CCC(Cc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26ClN3O/c24-19-8-6-17-7-9-21(15-18(17)14-19)26-12-10-23(11-13-26)22(28)25-16-27(23)20-4-2-1-3-5-20/h1-6,8,14,21H,7,9-13,15-16H2,(H,25,28)
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5.80n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assay


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087016
PNG
(8-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)
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5.90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087018
PNG
(3-Allyl-8-(5,8-dichloro-1,2,3,4-tetrahydro-naphtha...)
Show SMILES Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CN(CC=C)C2=O)c1ccccc1
Show InChI InChI=1S/C26H29Cl2N3O/c1-2-14-30-18-31(19-6-4-3-5-7-19)26(25(30)32)12-15-29(16-13-26)20-8-9-21-22(17-20)24(28)11-10-23(21)27/h2-7,10-11,20H,1,8-9,12-18H2
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5.90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087020
PNG
(8-(5,8-Dichloro-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES Clc1ccc(Cl)c2C[C@H](CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H25Cl2N3O/c24-20-8-9-21(25)19-14-17(6-7-18(19)20)27-12-10-23(11-13-27)22(29)26-15-28(23)16-4-2-1-3-5-16/h1-5,8-9,17H,6-7,10-15H2,(H,26,29)/t17-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50087013
PNG
(1-Phenyl-8-(1,2,3,4-tetrahydro-naphthalen-2-yl)-1,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCc2ccccc2C1
Show InChI InChI=1S/C23H27N3O/c27-22-23(26(17-24-22)20-8-2-1-3-9-20)12-14-25(15-13-23)21-11-10-18-6-4-5-7-19(18)16-21/h1-9,21H,10-17H2,(H,24,27)
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6.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assay


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50087683
PNG
(8-(4-tert-Butyl-cyclohexyl)-1-phenyl-1,3,8-triaza-...)
Show SMILES CC(C)(C)[C@@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:7.10,4.3,(3.06,-2.68,;3.83,-4.01,;3.06,-5.35,;2.29,-4,;5.37,-4.02,;6.14,-5.35,;7.7,-5.35,;8.45,-4.02,;7.68,-2.69,;6.14,-2.69,;9.99,-4.02,;10.76,-2.68,;12.3,-2.67,;13.05,-4.01,;12.3,-5.34,;10.76,-5.34,;13.95,-5.26,;15.42,-4.79,;15.42,-3.25,;13.96,-2.76,;13.49,-1.31,;13.49,-6.7,;14.51,-7.85,;14.03,-9.32,;12.53,-9.64,;11.5,-8.49,;11.97,-7.03,)|
Show InChI InChI=1S/C23H35N3O/c1-22(2,3)18-9-11-19(12-10-18)25-15-13-23(14-16-25)21(27)24-17-26(23)20-7-5-4-6-8-20/h4-8,18-19H,9-17H2,1-3H3,(H,24,27)/t18-,19+
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6.70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the...


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
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