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Compile Data Set for Download or QSAR

Found 35 hits of kd data for polymerid = 2101   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50452273
PNG
(DIHYDROMORPHINE | Dihydromorphine)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/an/a 0.200n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for Opioid receptor mu 1 affinity against the receptor site model site 1(mu1)


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/an/a 0.400n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1)


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021328
PNG
(3-Cyclopropylmethyl-11-ethyl-8-hydroxy-6-methyl-3,...)
Show SMILES CCC1C2N(CC3CC3)CCC1(C)c1cc(O)ccc1C2=O
Show InChI InChI=1S/C19H25NO2/c1-3-15-17-18(22)14-7-6-13(21)10-16(14)19(15,2)8-9-20(17)11-12-4-5-12/h6-7,10,12,15,17,21H,3-5,8-9,11H2,1-2H3
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n/an/an/a 0.5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1)


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/a 0.5 37n/an/a7.425



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 51: 1369-76 (2008)


Article DOI: 10.1021/jm070332f
BindingDB Entry DOI: 10.7270/Q2X63K7C
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/a 0.850 37n/an/an/an/a



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 49: 2868-75 (2006)


Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/a 0.850 37n/an/a7.425



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 50: 5528-32 (2007)


Article DOI: 10.1021/jm061465o
BindingDB Entry DOI: 10.7270/Q2D50K8P
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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n/an/an/a 0.900n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1)


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/an/a 3n/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)


Article DOI: 10.1016/s0960-894x(00)00111-6
BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/an/a 5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1)


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 6.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021328
PNG
(3-Cyclopropylmethyl-11-ethyl-8-hydroxy-6-methyl-3,...)
Show SMILES CCC1C2N(CC3CC3)CCC1(C)c1cc(O)ccc1C2=O
Show InChI InChI=1S/C19H25NO2/c1-3-15-17-18(22)14-7-6-13(21)10-16(14)19(15,2)8-9-20(17)11-12-4-5-12/h6-7,10,12,15,17,21H,3-5,8-9,11H2,1-2H3
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n/an/an/a 6.70n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 2 affinity against the receptor site model site 2(mu2)


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019093
PNG
(1-Cyclopropylmethyl-3-(3-hydroxy-phenyl)-piperidin...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C18H25NO3/c1-2-22-17(21)18(15-5-3-6-16(20)11-15)9-4-10-19(13-18)12-14-7-8-14/h3,5-6,11,14,20H,2,4,7-10,12-13H2,1H3/t18-/m1/s1
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n/an/an/a 8n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor mu 1 in rat brain membrane was determined by using curve-fitting ligands ([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC)


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50452273
PNG
(DIHYDROMORPHINE | Dihydromorphine)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/an/a 10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 2 affinity against the receptor site model site 2(mu2)


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 13n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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n/an/an/a 22n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 2 affinity against the receptor site model site 2(mu2)


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 24n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019094
PNG
(1-Allyl-3-(3-hydroxy-phenyl)-piperidine-3-carboxyl...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C17H23NO3/c1-3-10-18-11-6-9-17(13-18,16(20)21-4-2)14-7-5-8-15(19)12-14/h3,5,7-8,12,19H,1,4,6,9-11,13H2,2H3/t17-/m1/s1
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n/an/an/a 26n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor mu 1 in rat brain membrane was determined by using curve-fitting ligands ([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC)


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 32n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019092
PNG
(3-(3-Hydroxy-phenyl)-1-methyl-piperidine-3-carboxy...)
Show SMILES CCOC(=O)[C@@]1(CCCN(C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO3/c1-3-19-14(18)15(8-5-9-16(2)11-15)12-6-4-7-13(17)10-12/h4,6-7,10,17H,3,5,8-9,11H2,1-2H3/t15-/m1/s1
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n/an/an/a 36n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor mu 1 in rat brain membrane was determined by using curve-fitting ligands ([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC)


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 43n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 110n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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n/an/an/a 114n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 120n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 130n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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n/an/an/a 132n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019097
PNG
(1-Cyclopropylmethyl-3-(3-hydroxy-phenyl)-2-methyl-...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CC2CC2)[C@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C19H27NO3/c1-3-23-18(22)19(16-6-4-7-17(21)12-16)10-5-11-20(14(19)2)13-15-8-9-15/h4,6-7,12,14-15,21H,3,5,8-11,13H2,1-2H3/t14-,19+/m0/s1
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n/an/an/a 154n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor mu 1 in rat brain membrane was determined by using curve-fitting ligands ([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC)


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019098
PNG
(3-(3-Hydroxy-phenyl)-1,2-dimethyl-piperidine-3-car...)
Show SMILES CCOC(=O)[C@@]1(CCCN(C)[C@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO3/c1-4-20-15(19)16(9-6-10-17(3)12(16)2)13-7-5-8-14(18)11-13/h5,7-8,11-12,18H,4,6,9-10H2,1-3H3/t12-,16+/m0/s1
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n/an/an/a 178n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor mu 1 in rat brain membrane was determined by using curve-fitting ligands ([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC)


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 256n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019095
PNG
(1-Allyl-3-(3-hydroxy-phenyl)-2-methyl-piperidine-3...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CC=C)[C@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C18H25NO3/c1-4-11-19-12-7-10-18(14(19)3,17(21)22-5-2)15-8-6-9-16(20)13-15/h4,6,8-9,13-14,20H,1,5,7,10-12H2,2-3H3/t14-,18+/m0/s1
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n/an/an/a 310n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor mu 1 in rat brain membrane was determined by using curve-fitting ligands ([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC)


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 370n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019091
PNG
(3-(3-Hydroxy-phenyl)-2-methyl-1-phenethyl-piperidi...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CCc2ccccc2)[C@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C23H29NO3/c1-3-27-22(26)23(20-11-7-12-21(25)17-20)14-8-15-24(18(23)2)16-13-19-9-5-4-6-10-19/h4-7,9-12,17-18,25H,3,8,13-16H2,1-2H3/t18-,23+/m0/s1
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n/an/an/a 380n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor mu 1 in rat brain membrane was determined by using curve-fitting ligands ([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC)


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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n/an/an/a 1.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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n/an/an/a 1.17E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair