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Compile Data Set for Download or QSAR

Found 92 hits with Last Name = 'vardanyan' and Initial = 'r'   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21121
PNG
((2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
Show InChI InChI=1S/C39H50N6O6/c1-5-36(48)45(29-14-10-7-11-15-29)30-16-18-44(19-17-30)39(51)34(22-28-12-8-6-9-13-28)43-35(47)24-41-37(49)27(4)42-38(50)33(40)23-32-25(2)20-31(46)21-26(32)3/h6-15,20-21,27,30,33-34,46H,5,16-19,22-24,40H2,1-4H3,(H,41,49)(H,42,50)(H,43,47)/t27-,33+,34+/m1/s1
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0.360 -53.9n/an/a 0.770n/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))
BDBM21121
PNG
((2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
Show InChI InChI=1S/C39H50N6O6/c1-5-36(48)45(29-14-10-7-11-15-29)30-16-18-44(19-17-30)39(51)34(22-28-12-8-6-9-13-28)43-35(47)24-41-37(49)27(4)42-38(50)33(40)23-32-25(2)20-31(46)21-26(32)3/h6-15,20-21,27,30,33-34,46H,5,16-19,22-24,40H2,1-4H3,(H,41,49)(H,42,50)(H,43,47)/t27-,33+,34+/m1/s1
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0.380 -53.8n/an/a 0.880n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21119
PNG
((2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-[({[(2S...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C37H46N6O6/c1-3-34(46)43(28-12-8-5-9-13-28)29-18-20-42(21-19-29)37(49)32(23-26-10-6-4-7-11-26)41-33(45)24-39-35(47)25(2)40-36(48)31(38)22-27-14-16-30(44)17-15-27/h4-17,25,29,31-32,44H,3,18-24,38H2,1-2H3,(H,39,47)(H,40,48)(H,41,45)/t25-,31+,32+/m1/s1
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0.690 -52.3n/an/a 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))
BDBM21117
PNG
(3-{N'-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydrox...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C46H56N8O7/c1-32(49-45(60)39(47)29-35-17-19-38(55)20-18-35)44(59)48-31-42(57)50-40(30-34-13-7-3-8-14-34)46(61)52-51-41(56)21-22-43(58)54(36-15-9-4-10-16-36)37-24-27-53(28-25-37)26-23-33-11-5-2-6-12-33/h2-20,32,37,39-40,55H,21-31,47H2,1H3,(H,48,59)(H,49,60)(H,50,57)(H,51,56)(H,52,61)/t32-,39+,40+/m1/s1
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1.10 -51.1n/an/a 11n/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))
BDBM21116
PNG
(3-{N'-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydrox...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)CCC(=O)NC1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C40H52N8O7/c1-27(43-39(54)33(41)24-30-12-14-32(49)15-13-30)38(53)42-26-37(52)45-34(25-29-10-6-3-7-11-29)40(55)47-46-36(51)17-16-35(50)44-31-19-22-48(23-20-31)21-18-28-8-4-2-5-9-28/h2-15,27,31,33-34,49H,16-26,41H2,1H3,(H,42,53)(H,43,54)(H,44,50)(H,45,52)(H,46,51)(H,47,55)/t27-,33+,34+/m1/s1
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1.20 -50.9n/an/a 16n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21124
PNG
((2S)-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(N)=O
Show InChI InChI=1S/C29H40N6O6/c1-17(2)13-23(26(31)38)35-29(41)24(15-19-7-5-4-6-8-19)34-25(37)16-32-27(39)18(3)33-28(40)22(30)14-20-9-11-21(36)12-10-20/h4-12,17-18,22-24,36H,13-16,30H2,1-3H3,(H2,31,38)(H,32,39)(H,33,40)(H,34,37)(H,35,41)/t18-,22+,23+,24+/m1/s1
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2.40 -49.2n/an/an/an/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))
BDBM21123
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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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2.80 -48.8n/an/a 13n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21122
PNG
((2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-[({[(2S...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)CCC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C41H52N8O8/c1-3-37(53)49(30-12-8-5-9-13-30)31-20-22-48(23-21-31)38(54)19-18-35(51)46-47-41(57)34(25-28-10-6-4-7-11-28)45-36(52)26-43-39(55)27(2)44-40(56)33(42)24-29-14-16-32(50)17-15-29/h4-17,27,31,33-34,50H,3,18-26,42H2,1-2H3,(H,43,55)(H,44,56)(H,45,52)(H,46,51)(H,47,57)/t27-,33+,34+/m1/s1
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3.20 -48.5n/an/a 150n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21116
PNG
(3-{N'-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydrox...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)CCC(=O)NC1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C40H52N8O7/c1-27(43-39(54)33(41)24-30-12-14-32(49)15-13-30)38(53)42-26-37(52)45-34(25-29-10-6-3-7-11-29)40(55)47-46-36(51)17-16-35(50)44-31-19-22-48(23-20-31)21-18-28-8-4-2-5-9-28/h2-15,27,31,33-34,49H,16-26,41H2,1H3,(H,42,53)(H,43,54)(H,44,50)(H,45,52)(H,46,51)(H,47,55)/t27-,33+,34+/m1/s1
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3.70 -48.1n/an/a 29n/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))
BDBM21122
PNG
((2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-[({[(2S...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)CCC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C41H52N8O8/c1-3-37(53)49(30-12-8-5-9-13-30)31-20-22-48(23-21-31)38(54)19-18-35(51)46-47-41(57)34(25-28-10-6-4-7-11-28)45-36(52)26-43-39(55)27(2)44-40(56)33(42)24-29-14-16-32(50)17-15-29/h4-17,27,31,33-34,50H,3,18-26,42H2,1-2H3,(H,43,55)(H,44,56)(H,45,52)(H,46,51)(H,47,57)/t27-,33+,34+/m1/s1
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5.70 -47.1n/an/a 24n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21117
PNG
(3-{N'-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydrox...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C46H56N8O7/c1-32(49-45(60)39(47)29-35-17-19-38(55)20-18-35)44(59)48-31-42(57)50-40(30-34-13-7-3-8-14-34)46(61)52-51-41(56)21-22-43(58)54(36-15-9-4-10-16-36)37-24-27-53(28-25-37)26-23-33-11-5-2-6-12-33/h2-20,32,37,39-40,55H,21-31,47H2,1H3,(H,48,59)(H,49,60)(H,50,57)(H,51,56)(H,52,61)/t32-,39+,40+/m1/s1
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6.10 -46.9n/an/a 110n/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
Substance-P receptor


(Homo sapiens (Human))
BDBM50355375
PNG
(CHEMBL1835844)
Show SMILES FC(F)(F)c1cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCC(=O)N(C2CCN(CCc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C44H44F6N4O4/c45-43(46,47)33-24-31(25-34(27-33)44(48,49)50)29-58-42(57)39(26-32-28-51-38-15-8-7-14-37(32)38)52-40(55)16-9-17-41(56)54(35-12-5-2-6-13-35)36-19-22-53(23-20-36)21-18-30-10-3-1-4-11-30/h1-8,10-15,24-25,27-28,36,39,51H,9,16-23,26,29H2,(H,52,55)/t39-/m0/s1
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6.80n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 19: 6135-42 (2011)


Article DOI: 10.1016/j.bmc.2011.08.027
BindingDB Entry DOI: 10.7270/Q2B56K4J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21124
PNG
((2S)-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(N)=O
Show InChI InChI=1S/C29H40N6O6/c1-17(2)13-23(26(31)38)35-29(41)24(15-19-7-5-4-6-8-19)34-25(37)16-32-27(39)18(3)33-28(40)22(30)14-20-9-11-21(36)12-10-20/h4-12,17-18,22-24,36H,13-16,30H2,1-3H3,(H2,31,38)(H,32,39)(H,33,40)(H,34,37)(H,35,41)/t18-,22+,23+,24+/m1/s1
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7.70 -46.3n/an/an/an/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
Substance-P receptor


(Homo sapiens (Human))
BDBM50355374
PNG
(CHEMBL1835843)
Show SMILES FC(F)(F)c1cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCC(=O)N(C2CCN(CCc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C43H42F6N4O4/c44-42(45,46)32-23-30(24-33(26-32)43(47,48)49)28-57-41(56)38(25-31-27-50-37-14-8-7-13-36(31)37)51-39(54)15-16-40(55)53(34-11-5-2-6-12-34)35-18-21-52(22-19-35)20-17-29-9-3-1-4-10-29/h1-14,23-24,26-27,35,38,50H,15-22,25,28H2,(H,51,54)/t38-/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 19: 6135-42 (2011)


Article DOI: 10.1016/j.bmc.2011.08.027
BindingDB Entry DOI: 10.7270/Q2B56K4J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21115
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@@H](Cc1ccccc1)C(=O)NC1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C36H46N6O5/c1-25(39-35(46)31(37)22-28-12-14-30(43)15-13-28)34(45)38-24-33(44)41-32(23-27-10-6-3-7-11-27)36(47)40-29-17-20-42(21-18-29)19-16-26-8-4-2-5-9-26/h2-15,25,29,31-32,43H,16-24,37H2,1H3,(H,38,45)(H,39,46)(H,40,47)(H,41,44)/t25-,31+,32+/m1/s1
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14 -44.8n/an/a 510n/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))
BDBM21115
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@@H](Cc1ccccc1)C(=O)NC1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C36H46N6O5/c1-25(39-35(46)31(37)22-28-12-14-30(43)15-13-28)34(45)38-24-33(44)41-32(23-27-10-6-3-7-11-27)36(47)40-29-17-20-42(21-18-29)19-16-26-8-4-2-5-9-26/h2-15,25,29,31-32,43H,16-24,37H2,1H3,(H,38,45)(H,39,46)(H,40,47)(H,41,44)/t25-,31+,32+/m1/s1
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14 -44.8n/an/a 125n/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))
BDBM21119
PNG
((2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-[({[(2S...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C37H46N6O6/c1-3-34(46)43(28-12-8-5-9-13-28)29-18-20-42(21-19-29)37(49)32(23-26-10-6-4-7-11-26)41-33(45)24-39-35(47)25(2)40-36(48)31(38)22-27-14-16-30(44)17-15-27/h4-17,25,29,31-32,44H,3,18-24,38H2,1-2H3,(H,39,47)(H,40,48)(H,41,45)/t25-,31+,32+/m1/s1
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23 -43.6n/an/a 41n/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
Substance-P receptor


(Homo sapiens (Human))
BDBM50355377
PNG
(CHEMBL1835845)
Show SMILES FC(F)(F)c1cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)COCC(=O)N(C2CCN(CCc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C43H42F6N4O5/c44-42(45,46)32-21-30(22-33(24-32)43(47,48)49)26-58-41(56)38(23-31-25-50-37-14-8-7-13-36(31)37)51-39(54)27-57-28-40(55)53(34-11-5-2-6-12-34)35-16-19-52(20-17-35)18-15-29-9-3-1-4-10-29/h1-14,21-22,24-25,35,38,50H,15-20,23,26-28H2,(H,51,54)/t38-/m0/s1
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31n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 19: 6135-42 (2011)


Article DOI: 10.1016/j.bmc.2011.08.027
BindingDB Entry DOI: 10.7270/Q2B56K4J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21120
PNG
((2S)-2-amino-3-(4-hydroxy-3,5-dimethylphenyl)-N-[(...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1cc(C)c(O)c(C)c1)c1ccccc1
Show InChI InChI=1S/C30H41N5O5/c1-5-26(36)35(23-9-7-6-8-10-23)24-11-13-34(14-12-24)27(37)18-32-29(39)21(4)33-30(40)25(31)17-22-15-19(2)28(38)20(3)16-22/h6-10,15-16,21,24-25,38H,5,11-14,17-18,31H2,1-4H3,(H,32,39)(H,33,40)/t21-,25+/m1/s1
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40 -42.2n/an/a 82n/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))
BDBM50206658
PNG
((S)-N-(1-(2-amino-3-(4-hydroxy-2,6-dimethylphenyl)...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
Show InChI InChI=1S/C25H33N3O3/c1-4-24(30)28(19-8-6-5-7-9-19)20-10-12-27(13-11-20)25(31)23(26)16-22-17(2)14-21(29)15-18(22)3/h5-9,14-15,20,23,29H,4,10-13,16,26H2,1-3H3/t23-/m0/s1
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47n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50206658
PNG
((S)-N-(1-(2-amino-3-(4-hydroxy-2,6-dimethylphenyl)...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
Show InChI InChI=1S/C25H33N3O3/c1-4-24(30)28(19-8-6-5-7-9-19)20-10-12-27(13-11-20)25(31)23(26)16-22-17(2)14-21(29)15-18(22)3/h5-9,14-15,20,23,29H,4,10-13,16,26H2,1-3H3/t23-/m0/s1
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50n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50355375
PNG
(CHEMBL1835844)
Show SMILES FC(F)(F)c1cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCC(=O)N(C2CCN(CCc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C44H44F6N4O4/c45-43(46,47)33-24-31(25-34(27-33)44(48,49)50)29-58-42(57)39(26-32-28-51-38-15-8-7-14-37(32)38)52-40(55)16-9-17-41(56)54(35-12-5-2-6-13-35)36-19-22-53(23-20-36)21-18-30-10-3-1-4-11-30/h1-8,10-15,24-25,27-28,36,39,51H,9,16-23,26,29H2,(H,52,55)/t39-/m0/s1
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120n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells by liquid scintillation counting


Bioorg Med Chem 19: 6135-42 (2011)


Article DOI: 10.1016/j.bmc.2011.08.027
BindingDB Entry DOI: 10.7270/Q2B56K4J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50355374
PNG
(CHEMBL1835843)
Show SMILES FC(F)(F)c1cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCC(=O)N(C2CCN(CCc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C43H42F6N4O4/c44-42(45,46)32-23-30(24-33(26-32)43(47,48)49)28-57-41(56)38(25-31-27-50-37-14-8-7-13-36(31)37)51-39(54)15-16-40(55)53(34-11-5-2-6-12-34)35-18-21-52(22-19-35)20-17-29-9-3-1-4-10-29/h1-14,23-24,26-27,35,38,50H,15-22,25,28H2,(H,51,54)/t38-/m0/s1
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130n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells by liquid scintillation counting


Bioorg Med Chem 19: 6135-42 (2011)


Article DOI: 10.1016/j.bmc.2011.08.027
BindingDB Entry DOI: 10.7270/Q2B56K4J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21120
PNG
((2S)-2-amino-3-(4-hydroxy-3,5-dimethylphenyl)-N-[(...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1cc(C)c(O)c(C)c1)c1ccccc1
Show InChI InChI=1S/C30H41N5O5/c1-5-26(36)35(23-9-7-6-8-10-23)24-11-13-34(14-12-24)27(37)18-32-29(39)21(4)33-30(40)25(31)17-22-15-19(2)28(38)20(3)16-22/h6-10,15-16,21,24-25,38H,5,11-14,17-18,31H2,1-4H3,(H,32,39)(H,33,40)/t21-,25+/m1/s1
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180 -38.5n/an/a 170n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50206643
PNG
(CHEMBL390480 | N-(1-((2S,3R)-2-amino-3-(4-hydroxy-...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)[C@H](C)c1c(C)cc(O)cc1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O3/c1-5-23(31)29(20-9-7-6-8-10-20)21-11-13-28(14-12-21)26(32)25(27)19(4)24-17(2)15-22(30)16-18(24)3/h6-10,15-16,19,21,25,30H,5,11-14,27H2,1-4H3/t19-,25+/m1/s1
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260n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50206643
PNG
(CHEMBL390480 | N-(1-((2S,3R)-2-amino-3-(4-hydroxy-...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)[C@H](C)c1c(C)cc(O)cc1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O3/c1-5-23(31)29(20-9-7-6-8-10-20)21-11-13-28(14-12-21)26(32)25(27)19(4)24-17(2)15-22(30)16-18(24)3/h6-10,15-16,19,21,25,30H,5,11-14,27H2,1-4H3/t19-,25+/m1/s1
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300n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21123
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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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300 -37.2n/an/a 190n/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))
BDBM50355377
PNG
(CHEMBL1835845)
Show SMILES FC(F)(F)c1cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)COCC(=O)N(C2CCN(CCc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C43H42F6N4O5/c44-42(45,46)32-21-30(22-33(24-32)43(47,48)49)26-58-41(56)38(23-31-25-50-37-14-8-7-13-36(31)37)51-39(54)27-57-28-40(55)53(34-11-5-2-6-12-34)35-16-19-52(20-17-35)18-15-29-9-3-1-4-10-29/h1-14,21-22,24-25,35,38,50H,15-20,23,26-28H2,(H,51,54)/t38-/m0/s1
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400n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells by liquid scintillation counting


Bioorg Med Chem 19: 6135-42 (2011)


Article DOI: 10.1016/j.bmc.2011.08.027
BindingDB Entry DOI: 10.7270/Q2B56K4J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50206659
PNG
((S)-N-(1-(2-amino-3,3-diphenylpropanoyl)piperidin-...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)C(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33N3O2/c1-2-26(33)32(24-16-10-5-11-17-24)25-18-20-31(21-19-25)29(34)28(30)27(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,25,27-28H,2,18-21,30H2,1H3/t28-/m0/s1
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400n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50206648
PNG
(CHEMBL388899 | N-(1-((2S,3S)-2-amino-3-(4-hydroxy-...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)[C@@H](C)c1c(C)cc(O)cc1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O3/c1-5-23(31)29(20-9-7-6-8-10-20)21-11-13-28(14-12-21)26(32)25(27)19(4)24-17(2)15-22(30)16-18(24)3/h6-10,15-16,19,21,25,30H,5,11-14,27H2,1-4H3/t19-,25-/m0/s1
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500n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50206644
PNG
(CHEMBL395545 | N-(1-(3-amino-3-(4-chlorophenyl)pro...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)CC(N)c1ccc(Cl)cc1)c1ccccc1 |w:14.15|
Show InChI InChI=1S/C23H28ClN3O2/c1-2-22(28)27(19-6-4-3-5-7-19)20-12-14-26(15-13-20)23(29)16-21(25)17-8-10-18(24)11-9-17/h3-11,20-21H,2,12-16,25H2,1H3
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990n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50206651
PNG
((S)-N-(1-(2-amino-3-(naphthalen-2-yl)propanoyl)pip...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C27H31N3O2/c1-2-26(31)30(23-10-4-3-5-11-23)24-14-16-29(17-15-24)27(32)25(28)19-20-12-13-21-8-6-7-9-22(21)18-20/h3-13,18,24-25H,2,14-17,19,28H2,1H3/t25-/m0/s1
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UniChem
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1.10E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50206648
PNG
(CHEMBL388899 | N-(1-((2S,3S)-2-amino-3-(4-hydroxy-...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)[C@@H](C)c1c(C)cc(O)cc1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O3/c1-5-23(31)29(20-9-7-6-8-10-20)21-11-13-28(14-12-21)26(32)25(27)19(4)24-17(2)15-22(30)16-18(24)3/h6-10,15-16,19,21,25,30H,5,11-14,27H2,1-4H3/t19-,25-/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50206653
PNG
(CHEMBL389109 | N-(1-(3-(3-bromophenyl)propanoyl)pi...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)CCc1cccc(Br)c1)c1ccccc1
Show InChI InChI=1S/C23H27BrN2O2/c1-2-22(27)26(20-9-4-3-5-10-20)21-13-15-25(16-14-21)23(28)12-11-18-7-6-8-19(24)17-18/h3-10,17,21H,2,11-16H2,1H3
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1.90E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50206644
PNG
(CHEMBL395545 | N-(1-(3-amino-3-(4-chlorophenyl)pro...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)CC(N)c1ccc(Cl)cc1)c1ccccc1 |w:14.15|
Show InChI InChI=1S/C23H28ClN3O2/c1-2-22(28)27(19-6-4-3-5-7-19)20-12-14-26(15-13-20)23(29)16-21(25)17-8-10-18(24)11-9-17/h3-11,20-21H,2,12-16,25H2,1H3
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2.40E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50206646
PNG
((S)-N-(1-(2-amino-2-(2,3-dihydro-1H-inden-2-yl)ace...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)C1Cc2ccccc2C1)c1ccccc1
Show InChI InChI=1S/C25H31N3O2/c1-2-23(29)28(21-10-4-3-5-11-21)22-12-14-27(15-13-22)25(30)24(26)20-16-18-8-6-7-9-19(18)17-20/h3-11,20,22,24H,2,12-17,26H2,1H3/t24-/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50206645
PNG
((S)-N-(1-(2-amino-3-(benzo[b]thiophen-3-yl)propano...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1csc2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H29N3O2S/c1-2-24(29)28(19-8-4-3-5-9-19)20-12-14-27(15-13-20)25(30)22(26)16-18-17-31-23-11-7-6-10-21(18)23/h3-11,17,20,22H,2,12-16,26H2,1H3/t22-/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50206660
PNG
(CHEMBL231049 | N-(1-(3-amino-3-p-tolylpropanoyl)pi...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)CC(N)c1ccc(C)cc1)c1ccccc1 |w:14.15|
Show InChI InChI=1S/C24H31N3O2/c1-3-23(28)27(20-7-5-4-6-8-20)21-13-15-26(16-14-21)24(29)17-22(25)19-11-9-18(2)10-12-19/h4-12,21-22H,3,13-17,25H2,1-2H3
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2.90E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50206660
PNG
(CHEMBL231049 | N-(1-(3-amino-3-p-tolylpropanoyl)pi...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)CC(N)c1ccc(C)cc1)c1ccccc1 |w:14.15|
Show InChI InChI=1S/C24H31N3O2/c1-3-23(28)27(20-7-5-4-6-8-20)21-13-15-26(16-14-21)24(29)17-22(25)19-11-9-18(2)10-12-19/h4-12,21-22H,3,13-17,25H2,1-2H3
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3.00E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50206651
PNG
((S)-N-(1-(2-amino-3-(naphthalen-2-yl)propanoyl)pip...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C27H31N3O2/c1-2-26(31)30(23-10-4-3-5-11-23)24-14-16-29(17-15-24)27(32)25(28)19-20-12-13-21-8-6-7-9-22(21)18-20/h3-13,18,24-25H,2,14-17,19,28H2,1H3/t25-/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50206649
PNG
(CHEMBL230311 | N-(1-(3-(3-chloro-4-methoxyphenyl)p...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)CCc1ccc(OC)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C24H29ClN2O3/c1-3-23(28)27(19-7-5-4-6-8-19)20-13-15-26(16-14-20)24(29)12-10-18-9-11-22(30-2)21(25)17-18/h4-9,11,17,20H,3,10,12-16H2,1-2H3
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3.80E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50206655
PNG
((S)-N-(1-(2-amino-3-phenylpropanoyl)piperidin-4-yl...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H29N3O2/c1-2-22(27)26(19-11-7-4-8-12-19)20-13-15-25(16-14-20)23(28)21(24)17-18-9-5-3-6-10-18/h3-12,20-21H,2,13-17,24H2,1H3/t21-/m0/s1
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3.90E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50206656
PNG
((R)-N-(1-(2-amino-2-phenylacetyl)piperidin-4-yl)-N...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](N)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H27N3O2/c1-2-20(26)25(18-11-7-4-8-12-18)19-13-15-24(16-14-19)22(27)21(23)17-9-5-3-6-10-17/h3-12,19,21H,2,13-16,23H2,1H3/t21-/m1/s1
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5.10E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21114
PNG
(3-{phenyl[1-(2-phenylethyl)piperidin-4-yl]carbamoy...)
Show SMILES OC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C23H28N2O3/c26-22(11-12-23(27)28)25(20-9-5-2-6-10-20)21-14-17-24(18-15-21)16-13-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,27,28)
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5.40E+3 -30.1n/an/an/an/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))
BDBM21118
PNG
((2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-({2-oxo...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C28H37N5O5/c1-3-25(35)33(21-7-5-4-6-8-21)22-13-15-32(16-14-22)26(36)18-30-27(37)19(2)31-28(38)24(29)17-20-9-11-23(34)12-10-20/h4-12,19,22,24,34H,3,13-18,29H2,1-2H3,(H,30,37)(H,31,38)/t19-,24+/m1/s1
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5.70E+3 -29.9n/an/an/an/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50206649
PNG
(CHEMBL230311 | N-(1-(3-(3-chloro-4-methoxyphenyl)p...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)CCc1ccc(OC)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C24H29ClN2O3/c1-3-23(28)27(19-7-5-4-6-8-19)20-13-15-26(16-14-20)24(29)12-10-18-9-11-22(30-2)21(25)17-18/h4-9,11,17,20H,3,10,12-16H2,1-2H3
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6.30E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50206654
PNG
((S)-N-(1-(2-amino-2-phenylacetyl)piperidin-4-yl)-N...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H27N3O2/c1-2-20(26)25(18-11-7-4-8-12-18)19-13-15-24(16-14-19)22(27)21(23)17-9-5-3-6-10-17/h3-12,19,21H,2,13-16,23H2,1H3/t21-/m0/s1
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6.40E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50206659
PNG
((S)-N-(1-(2-amino-3,3-diphenylpropanoyl)piperidin-...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)C(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33N3O2/c1-2-26(33)32(24-16-10-5-11-17-24)25-18-20-31(21-19-25)29(34)28(30)27(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,25,27-28H,2,18-21,30H2,1H3/t28-/m0/s1
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6.50E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50206652
PNG
((R)-N-(1-(2-amino-3-(4-chlorophenyl)propanoyl)pipe...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](N)Cc1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C23H28ClN3O2/c1-2-22(28)27(19-6-4-3-5-7-19)20-12-14-26(15-13-20)23(29)21(25)16-17-8-10-18(24)11-9-17/h3-11,20-21H,2,12-16,25H2,1H3/t21-/m1/s1
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6.90E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50206655
PNG
((S)-N-(1-(2-amino-3-phenylpropanoyl)piperidin-4-yl...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H29N3O2/c1-2-22(27)26(19-11-7-4-8-12-19)20-13-15-25(16-14-20)23(28)21(24)17-18-9-5-3-6-10-18/h3-12,20-21H,2,13-17,24H2,1H3/t21-/m0/s1
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6.90E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
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