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Compile Data Set for Download or QSAR

Found 530 hits with Last Name = 'ballet' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin/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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0.00240n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain after 45 mins


J Med Chem 51: 173-7 (2008)


Article DOI: 10.1021/jm7010222
BindingDB Entry DOI: 10.7270/Q2ZS2XBN
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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0.00950n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain after 45 mins


J Med Chem 51: 173-7 (2008)


Article DOI: 10.1021/jm7010222
BindingDB Entry DOI: 10.7270/Q2ZS2XBN
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50354647
PNG
(CHEMBL1834244)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1[C@@H](C)c2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-14-9-19(33)10-15(2)21(14)11-22(28)26(36)30-17(4)25(35)31-24-16(3)20-8-6-5-7-18(20)12-32(27(24)37)13-23(29)34/h5-10,16-17,22,24,33H,11-13,28H2,1-4H3,(H2,29,34)(H,30,36)(H,31,35)/t16-,17+,22-,24+/m0/s1
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0.0250n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting


J Med Chem 54: 6538-47 (2011)


Article DOI: 10.1021/jm2003574
BindingDB Entry DOI: 10.7270/Q24Q7VC1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50354644
PNG
(CHEMBL1834218)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1[C@@H](C)c2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-14-9-19(33)10-15(2)21(14)11-22(28)26(36)30-17(4)25(35)31-24-16(3)20-8-6-5-7-18(20)12-32(27(24)37)13-23(29)34/h5-10,16-17,22,24,33H,11-13,28H2,1-4H3,(H2,29,34)(H,30,36)(H,31,35)/t16-,17+,22-,24-/m0/s1
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0.0250n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting


J Med Chem 54: 6538-47 (2011)


Article DOI: 10.1021/jm2003574
BindingDB Entry DOI: 10.7270/Q24Q7VC1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50229425
PNG
(CHEMBL401142 | Tyr-(R)-spiro-Aba-Gly-Phe-NH2)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@]11Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O
Show InChI InChI=1S/C33H37N5O5/c34-27(17-23-11-13-26(39)14-12-23)31(42)38-16-6-15-33(38)19-24-9-4-5-10-25(24)20-37(32(33)43)21-29(40)36-28(30(35)41)18-22-7-2-1-3-8-22/h1-5,7-14,27-28,39H,6,15-21,34H2,(H2,35,41)(H,36,40)/t27-,28-,33+/m0/s1
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0.0293n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain after 45 mins


J Med Chem 51: 173-7 (2008)


Article DOI: 10.1021/jm7010222
BindingDB Entry DOI: 10.7270/Q2ZS2XBN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50266025
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1
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0.0310n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussels

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor


J Med Chem 49: 3990-3 (2006)


Article DOI: 10.1021/jm0603264
BindingDB Entry DOI: 10.7270/Q2474BPW
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50266025
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1
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0.0310n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in Sprague-Dawley rat brain synaptosomal membranes


Bioorg Med Chem Lett 19: 433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.051
BindingDB Entry DOI: 10.7270/Q2K64HZ7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027229
PNG
(CHEMBL2375157)
Show SMILES C[C@@H](CN1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1nc2ccccc2[nH]1)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1/C32H37N5O3/c1-20(12-26-21(2)13-25(38)14-22(26)3)18-37-19-24-9-5-4-8-23(24)15-29(37)32(40)34-17-31(39)33-16-30-35-27-10-6-7-11-28(27)36-30/h4-11,13-14,20,29,38H,12,15-19H2,1-3H3,(H,33,39)(H,34,40)(H,35,36)/t20-,29+/s2
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0.0350n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussels

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor


J Med Chem 49: 3990-3 (2006)


Article DOI: 10.1021/jm0603264
BindingDB Entry DOI: 10.7270/Q2474BPW
More data for this
Ligand-Target Pair
Nociceptin receptor


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



Vrije Universiteit Brussel

Curated by ChEMBL


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


J Med Chem 59: 3777-92 (2016)


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


(Homo sapiens (Human))
BDBM50272081
PNG
(2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C29H32N4O4/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(37)33-17-21-9-7-6-8-20(21)14-26(33)28(36)31-16-27(35)32-22-10-4-3-5-11-22/h3-13,25-26,34H,14-17,30H2,1-2H3,(H,31,36)(H,32,35)/t25-,26-/m0/s1
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0.0420n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussels

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor


J Med Chem 49: 3990-3 (2006)


Article DOI: 10.1021/jm0603264
BindingDB Entry DOI: 10.7270/Q2474BPW
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50354650
PNG
(CHEMBL1834247)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C26H33N5O5/c1-14-8-19(32)9-15(2)20(14)11-21(27)25(35)29-16(3)24(34)30-22-10-17-6-4-5-7-18(17)12-31(26(22)36)13-23(28)33/h4-9,16,21-22,32H,10-13,27H2,1-3H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,21+,22+/m1/s1
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0.0470n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting


J Med Chem 54: 6538-47 (2011)


Article DOI: 10.1021/jm2003574
BindingDB Entry DOI: 10.7270/Q24Q7VC1
More data for this
Ligand-Target Pair
Nociceptin receptor


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



Vrije Universiteit Brussel

Curated by ChEMBL


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


J Med Chem 59: 3777-92 (2016)


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


(Rattus norvegicus (rat))
BDBM50070376
PNG
(CHEMBL3408518)
Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1/C40H48F6N8O5/c1-22-13-29(55)14-23(2)30(22)19-31(47)35(57)51-32(9-6-11-50-38(48)49)36(58)52-33-17-25-7-4-5-8-26(25)21-54(37(33)59)12-10-34(56)53(3)20-24-15-27(39(41,42)43)18-28(16-24)40(44,45)46/h4-5,7-8,13-16,18,31-33,55H,6,9-12,17,19-21,47H2,1-3H3,(H,51,57)(H,52,58)(H4,48,49,50)/t31-,32+,33-/s2
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0.0800n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs


Eur J Med Chem 92: 64-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50070377
PNG
(CHEMBL3408519)
Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1/C38H50N8O5/c1-24-18-29(47)19-25(2)30(24)21-31(39)35(49)43-32(14-9-16-42-38(40)41)36(50)44-33-20-27-12-7-8-13-28(27)23-46(37(33)51)17-15-34(48)45(3)22-26-10-5-4-6-11-26/h4-8,10-13,18-19,31-33,47H,9,14-17,20-23,39H2,1-3H3,(H,43,49)(H,44,50)(H4,40,41,42)/t31-,32+,33-/s2
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0.0800n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs


Eur J Med Chem 92: 64-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50070377
PNG
(CHEMBL3408519)
Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1/C38H50N8O5/c1-24-18-29(47)19-25(2)30(24)21-31(39)35(49)43-32(14-9-16-42-38(40)41)36(50)44-33-20-27-12-7-8-13-28(27)23-46(37(33)51)17-15-34(48)45(3)22-26-10-5-4-6-11-26/h4-8,10-13,18-19,31-33,47H,9,14-17,20-23,39H2,1-3H3,(H,43,49)(H,44,50)(H4,40,41,42)/t31-,32+,33-/s2
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0.0800n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs


ACS Med Chem Lett 6: 1209-14 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5QQJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50070380
PNG
(CHEMBL3408522)
Show SMILES [H][C@@]1(Cc2ccccc2CN(CC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1/C37H48N8O5/c1-23-16-28(46)17-24(2)29(23)19-30(38)34(48)42-31(14-9-15-41-37(39)40)35(49)43-32-18-26-12-7-8-13-27(26)21-45(36(32)50)22-33(47)44(3)20-25-10-5-4-6-11-25/h4-8,10-13,16-17,30-32,46H,9,14-15,18-22,38H2,1-3H3,(H,42,48)(H,43,49)(H4,39,40,41)/t30-,31+,32-/s2
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0.0900n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs


Eur J Med Chem 92: 64-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50070385
PNG
(CHEMBL3408736)
Show SMILES CN(CC(=O)N(C)Cc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1/C37H50N8O5/c1-24-18-28(46)19-25(2)29(24)21-30(38)34(48)42-31(16-11-17-41-37(39)40)35(49)43-32(20-26-12-7-5-8-13-26)36(50)45(4)23-33(47)44(3)22-27-14-9-6-10-15-27/h5-10,12-15,18-19,30-32,46H,11,16-17,20-23,38H2,1-4H3,(H,42,48)(H,43,49)(H4,39,40,41)
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0.100n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs


Eur J Med Chem 92: 64-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


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



Vrije Universiteit Brussel

Curated by ChEMBL


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


J Med Chem 59: 3777-92 (2016)


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


(Rattus norvegicus (rat))
BDBM50010488
PNG
(CHEMBL3264361)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r|
Show InChI InChI=1S/C38H55N11O11/c1-19-11-23(51)12-20(2)24(19)14-25(39)34(56)44-26(9-6-10-43-38(41)42)35(57)45-27(13-21-7-4-3-5-8-21)36(58)46-28(33(40)55)18-59-17-22-15-49(48-47-22)37-32(54)31(53)30(52)29(16-50)60-37/h3-5,7-8,11-12,15,25-32,37,50-54H,6,9-10,13-14,16-18,39H2,1-2H3,(H2,40,55)(H,44,56)(H,45,57)(H,46,58)(H4,41,42,43)/t25-,26+,27-,28-,29+,30-,31-,32+,37+/m0/s1
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0.112n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes


ACS Med Chem Lett 5: 352-357 (2014)


Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50070381
PNG
(CHEMBL3408730)
Show SMILES [H][C@@]1(Cc2ccccc2CN(CC(=O)NCc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1/C36H46N8O5/c1-22-15-27(45)16-23(2)28(22)18-29(37)33(47)42-30(13-8-14-40-36(38)39)34(48)43-31-17-25-11-6-7-12-26(25)20-44(35(31)49)21-32(46)41-19-24-9-4-3-5-10-24/h3-7,9-12,15-16,29-31,45H,8,13-14,17-21,37H2,1-2H3,(H,41,46)(H,42,47)(H,43,48)(H4,38,39,40)/t29-,30+,31-/s2
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0.140n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs


Eur J Med Chem 92: 64-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM85731
PNG
([Dmt1]DALDA)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1
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0.143n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


J Med Chem 55: 9549-61 (2012)


Article DOI: 10.1021/jm3008079
BindingDB Entry DOI: 10.7270/Q2TM7C82
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM85731
PNG
([Dmt1]DALDA)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1
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0.143n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes after 2 hrs


J Med Chem 55: 9549-61 (2012)


Article DOI: 10.1021/jm3008079
BindingDB Entry DOI: 10.7270/Q2TM7C82
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50010483
PNG
(CHEMBL2181202)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1
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0.143n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes


ACS Med Chem Lett 5: 352-357 (2014)


Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50346330
PNG
((R)-N-((S)-2-(2-amino-2-oxoethyl)-3-oxo-2,3,4,5-te...)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7](-[#6]-[#6](-[#7])=O)-[#6]-1=O |r|
Show InChI InChI=1S/C29H40N8O5/c1-16-10-20(38)11-17(2)21(16)13-22(30)26(40)35-23(8-5-9-34-29(32)33)27(41)36-24-12-18-6-3-4-7-19(18)14-37(28(24)42)15-25(31)39/h3-4,6-7,10-11,22-24,38H,5,8-9,12-15,30H2,1-2H3,(H2,31,39)(H,35,40)(H,36,41)(H4,32,33,34)/t22-,23+,24-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs


Eur J Med Chem 92: 64-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50346330
PNG
((R)-N-((S)-2-(2-amino-2-oxoethyl)-3-oxo-2,3,4,5-te...)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7](-[#6]-[#6](-[#7])=O)-[#6]-1=O |r|
Show InChI InChI=1S/C29H40N8O5/c1-16-10-20(38)11-17(2)21(16)13-22(30)26(40)35-23(8-5-9-34-29(32)33)27(41)36-24-12-18-6-3-4-7-19(18)14-37(28(24)42)15-25(31)39/h3-4,6-7,10-11,22-24,38H,5,8-9,12-15,30H2,1-2H3,(H2,31,39)(H,35,40)(H,36,41)(H4,32,33,34)/t22-,23+,24-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes after 2 hrs


J Med Chem 55: 9549-61 (2012)


Article DOI: 10.1021/jm3008079
BindingDB Entry DOI: 10.7270/Q2TM7C82
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50346330
PNG
((R)-N-((S)-2-(2-amino-2-oxoethyl)-3-oxo-2,3,4,5-te...)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7](-[#6]-[#6](-[#7])=O)-[#6]-1=O |r|
Show InChI InChI=1S/C29H40N8O5/c1-16-10-20(38)11-17(2)21(16)13-22(30)26(40)35-23(8-5-9-34-29(32)33)27(41)36-24-12-18-6-3-4-7-19(18)14-37(28(24)42)15-25(31)39/h3-4,6-7,10-11,22-24,38H,5,8-9,12-15,30H2,1-2H3,(H2,31,39)(H,35,40)(H,36,41)(H4,32,33,34)/t22-,23+,24-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes after 2 hrs


J Med Chem 54: 2467-76 (2011)


Article DOI: 10.1021/jm1016285
BindingDB Entry DOI: 10.7270/Q2416XD1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50272081
PNG
(2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C29H32N4O4/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(37)33-17-21-9-7-6-8-20(21)14-26(33)28(36)31-16-27(35)32-22-10-4-3-5-11-22/h3-13,25-26,34H,14-17,30H2,1-2H3,(H,31,36)(H,32,35)/t25-,26-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussels

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


J Med Chem 49: 3990-3 (2006)


Article DOI: 10.1021/jm0603264
BindingDB Entry DOI: 10.7270/Q2474BPW
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50266025
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain synaptosomal membranes


Bioorg Med Chem Lett 19: 433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.051
BindingDB Entry DOI: 10.7270/Q2K64HZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50266025
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussels

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


J Med Chem 49: 3990-3 (2006)


Article DOI: 10.1021/jm0603264
BindingDB Entry DOI: 10.7270/Q2474BPW
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50155796
PNG
(CHEMBL3781680)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)CC(N)=O |r|
Show InChI InChI=1/C33H51N9O5/c1-20-15-24(43)16-21(2)25(20)19-26(35)30(45)41-27(12-8-14-39-33(37)38)31(46)42-28(17-22-9-4-3-5-10-22)32(47)40-23(18-29(36)44)11-6-7-13-34/h3-5,9-10,15-16,23,26-28,43H,6-8,11-14,17-19,34-35H2,1-2H3,(H2,36,44)(H,40,47)(H,41,45)(H,42,46)(H4,37,38,39)/t23-,26-,27+,28-/s2
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0.187n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs


ACS Med Chem Lett 6: 1209-14 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5QQJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50010487
PNG
(CHEMBL3264360)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |r|
Show InChI InChI=1S/C37H53N11O10/c1-18-11-22(50)12-19(2)23(18)15-24(38)33(55)43-25(9-6-10-42-37(40)41)34(56)45-27(13-20-7-4-3-5-8-20)35(57)44-26(32(39)54)14-21-16-48(47-46-21)36-31(53)30(52)29(51)28(17-49)58-36/h3-5,7-8,11-12,16,24-31,36,49-53H,6,9-10,13-15,17,38H2,1-2H3,(H2,39,54)(H,43,55)(H,44,57)(H,45,56)(H4,40,41,42)/t24-,25+,26-,27-,28+,29+,30-,31+,36+/m0/s1
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0.203n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes


ACS Med Chem Lett 5: 352-357 (2014)


Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50299565
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C21H24N2O4/c1-12-7-16(24)8-13(2)17(12)10-18(22)20(25)23-11-15-6-4-3-5-14(15)9-19(23)21(26)27/h3-8,18-19,24H,9-11,22H2,1-2H3,(H,26,27)/t18-,19-/m0/s1
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0.220n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain membranes


Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50010486
PNG
(CHEMBL3264359)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r|
Show InChI InChI=1S/C37H53N11O10/c1-18-11-22(50)12-19(2)23(18)15-24(38)33(55)43-25(9-6-10-42-37(40)41)34(56)45-27(13-20-7-4-3-5-8-20)35(57)44-26(32(39)54)14-21-16-48(47-46-21)36-31(53)30(52)29(51)28(17-49)58-36/h3-5,7-8,11-12,16,24-31,36,49-53H,6,9-10,13-15,17,38H2,1-2H3,(H2,39,54)(H,43,55)(H,44,57)(H,45,56)(H4,40,41,42)/t24-,25+,26-,27-,28+,29-,30-,31+,36+/m0/s1
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0.222n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes


ACS Med Chem Lett 5: 352-357 (2014)


Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50399643
PNG
(CHEMBL2181201)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C32H48N8O5/c1-4-5-12-25(28(34)42)38-31(45)27(17-21-10-7-6-8-11-21)40-30(44)26(13-9-14-37-32(35)36)39-29(43)24(33)18-23-19(2)15-22(41)16-20(23)3/h6-8,10-11,15-16,24-27,41H,4-5,9,12-14,17-18,33H2,1-3H3,(H2,34,42)(H,38,45)(H,39,43)(H,40,44)(H4,35,36,37)/t24-,25-,26+,27-/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes after 2 hrs


J Med Chem 55: 9549-61 (2012)


Article DOI: 10.1021/jm3008079
BindingDB Entry DOI: 10.7270/Q2TM7C82
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50312859
PNG
((S,3S,3'S)-N,N'-(hex-3-ene-1,6-diyl)bis(2-((S)-2-a...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC\C=C\CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C48H58N6O6/c1-29-19-37(55)20-30(2)39(29)25-41(49)47(59)53-27-35-15-9-7-13-33(35)23-43(53)45(57)51-17-11-5-6-12-18-52-46(58)44-24-34-14-8-10-16-36(34)28-54(44)48(60)42(50)26-40-31(3)21-38(56)22-32(40)4/h5-10,13-16,19-22,41-44,55-56H,11-12,17-18,23-28,49-50H2,1-4H3,(H,51,57)(H,52,58)/b6-5+/t41-,42-,43-,44-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain membranes


Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50399640
PNG
(CHEMBL2181198)
Show SMILES [#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O)-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6] |r|
Show InChI InChI=1S/C33H51N9O5/c1-20-16-23(43)17-21(2)24(20)19-25(35)30(45)40-26(12-9-15-39-33(37)38)31(46)41-27(18-22-10-5-4-6-11-22)32(47)42(3)28(29(36)44)13-7-8-14-34/h4-6,10-11,16-17,25-28,43H,7-9,12-15,18-19,34-35H2,1-3H3,(H2,36,44)(H,40,45)(H,41,46)(H4,37,38,39)/t25-,26+,27-,28-/m0/s1
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0.260n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes after 2 hrs


J Med Chem 55: 9549-61 (2012)


Article DOI: 10.1021/jm3008079
BindingDB Entry DOI: 10.7270/Q2TM7C82
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50399639
PNG
(CHEMBL2181197)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C33H50N8O5/c1-5-6-14-28(29(35)43)41(4)32(46)27(18-22-11-8-7-9-12-22)40-31(45)26(13-10-15-38-33(36)37)39-30(44)25(34)19-24-20(2)16-23(42)17-21(24)3/h7-9,11-12,16-17,25-28,42H,5-6,10,13-15,18-19,34H2,1-4H3,(H2,35,43)(H,39,44)(H,40,45)(H4,36,37,38)/t25-,26+,27-,28-/m0/s1
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0.260n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes after 2 hrs


J Med Chem 55: 9549-61 (2012)


Article DOI: 10.1021/jm3008079
BindingDB Entry DOI: 10.7270/Q2TM7C82
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50070377
PNG
(CHEMBL3408519)
Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1/C38H50N8O5/c1-24-18-29(47)19-25(2)30(24)21-31(39)35(49)43-32(14-9-16-42-38(40)41)36(50)44-33-20-27-12-7-8-13-28(27)23-46(37(33)51)17-15-34(48)45(3)22-26-10-5-4-6-11-26/h4-8,10-13,18-19,31-33,47H,9,14-17,20-23,39H2,1-3H3,(H,43,49)(H,44,50)(H4,40,41,42)/t31-,32+,33-/s2
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0.280n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from rat brain DOR after 2 hrs


Eur J Med Chem 92: 64-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50070377
PNG
(CHEMBL3408519)
Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1/C38H50N8O5/c1-24-18-29(47)19-25(2)30(24)21-31(39)35(49)43-32(14-9-16-42-38(40)41)36(50)44-33-20-27-12-7-8-13-28(27)23-46(37(33)51)17-15-34(48)45(3)22-26-10-5-4-6-11-26/h4-8,10-13,18-19,31-33,47H,9,14-17,20-23,39H2,1-3H3,(H,43,49)(H,44,50)(H4,40,41,42)/t31-,32+,33-/s2
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0.280n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs


ACS Med Chem Lett 6: 1209-14 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5QQJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50070379
PNG
(CHEMBL3408521)
Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1/C38H49N7O6/c1-24-18-29(46)19-25(2)30(24)21-31(39)35(48)42-32(14-9-16-41-38(40)51)36(49)43-33-20-27-12-7-8-13-28(27)23-45(37(33)50)17-15-34(47)44(3)22-26-10-5-4-6-11-26/h4-8,10-13,18-19,31-33,46H,9,14-17,20-23,39H2,1-3H3,(H,42,48)(H,43,49)(H3,40,41,51)/t31-,32+,33-/s2
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0.280n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs


Eur J Med Chem 92: 64-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50010489
PNG
(CHEMBL3264362)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O |r|
Show InChI InChI=1S/C44H59N11O11/c1-23-15-28(57)16-24(2)30(23)19-31(45)40(62)50-32(9-6-14-49-44(47)48)41(63)52-34(18-25-7-4-3-5-8-25)42(64)51-33(39(46)61)17-26-10-12-29(13-11-26)65-22-27-20-55(54-53-27)43-38(60)37(59)36(58)35(21-56)66-43/h3-5,7-8,10-13,15-16,20,31-38,43,56-60H,6,9,14,17-19,21-22,45H2,1-2H3,(H2,46,61)(H,50,62)(H,51,64)(H,52,63)(H4,47,48,49)/t31-,32+,33-,34-,35+,36-,37-,38+,43+/m0/s1
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0.286n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes


ACS Med Chem Lett 5: 352-357 (2014)


Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50354649
PNG
(CHEMBL1834246)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@]1(C)Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)11-22(28)25(36)30-17(3)24(35)31-27(4)12-18-7-5-6-8-19(18)13-32(26(27)37)14-23(29)34/h5-10,17,22,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,36)(H,31,35)/t17-,22+,27-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting


J Med Chem 54: 6538-47 (2011)


Article DOI: 10.1021/jm2003574
BindingDB Entry DOI: 10.7270/Q24Q7VC1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50354651
PNG
(CHEMBL1834248)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C26H33N5O5/c1-14-8-19(32)9-15(2)20(14)11-21(27)25(35)29-16(3)24(34)30-22-10-17-6-4-5-7-18(17)12-31(26(22)36)13-23(28)33/h4-9,16,21-22,32H,10-13,27H2,1-3H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,21+,22-/m1/s1
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0.330n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting


J Med Chem 54: 6538-47 (2011)


Article DOI: 10.1021/jm2003574
BindingDB Entry DOI: 10.7270/Q24Q7VC1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50070378
PNG
(CHEMBL3408520)
Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1/C40H47F6N7O6/c1-22-13-29(54)14-23(2)30(22)19-31(47)35(56)50-32(9-6-11-49-38(48)59)36(57)51-33-17-25-7-4-5-8-26(25)21-53(37(33)58)12-10-34(55)52(3)20-24-15-27(39(41,42)43)18-28(16-24)40(44,45)46/h4-5,7-8,13-16,18,31-33,54H,6,9-12,17,19-21,47H2,1-3H3,(H,50,56)(H,51,57)(H3,48,49,59)/t31-,32+,33-/s2
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0.370n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs


Eur J Med Chem 92: 64-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50229426
PNG
(CHEMBL399796 | Tyr-(S)-Aba-Gly-Phe-NH2)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O
Show InChI InChI=1S/C30H33N5O5/c31-24(14-20-10-12-23(36)13-11-20)29(39)34-26-16-21-8-4-5-9-22(21)17-35(30(26)40)18-27(37)33-25(28(32)38)15-19-6-2-1-3-7-19/h1-13,24-26,36H,14-18,31H2,(H2,32,38)(H,33,37)(H,34,39)/t24-,25-,26-/m0/s1
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0.373n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain after 45 mins


J Med Chem 51: 173-7 (2008)


Article DOI: 10.1021/jm7010222
BindingDB Entry DOI: 10.7270/Q2ZS2XBN
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50354645
PNG
(CHEMBL1834219)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1[C@H](C)c2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-14-9-19(33)10-15(2)21(14)11-22(28)26(36)30-17(4)25(35)31-24-16(3)20-8-6-5-7-18(20)12-32(27(24)37)13-23(29)34/h5-10,16-17,22,24,33H,11-13,28H2,1-4H3,(H2,29,34)(H,30,36)(H,31,35)/t16-,17-,22+,24-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting


J Med Chem 54: 6538-47 (2011)


Article DOI: 10.1021/jm2003574
BindingDB Entry DOI: 10.7270/Q24Q7VC1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50346329
PNG
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES [#6]-[#7](-[#6]-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-[#6](=O)-[#6]-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O |r|
Show InChI InChI=1S/C39H46F6N8O5/c1-21-11-28(54)12-22(2)29(21)17-30(46)34(56)50-31(9-6-10-49-37(47)48)35(57)51-32-15-24-7-4-5-8-25(24)19-53(36(32)58)20-33(55)52(3)18-23-13-26(38(40,41)42)16-27(14-23)39(43,44)45/h4-5,7-8,11-14,16,30-32,54H,6,9-10,15,17-20,46H2,1-3H3,(H,50,56)(H,51,57)(H4,47,48,49)/t30-,31+,32-/m0/s1
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0.416n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes after 2 hrs


J Med Chem 54: 2467-76 (2011)


Article DOI: 10.1021/jm1016285
BindingDB Entry DOI: 10.7270/Q2416XD1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50346329
PNG
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES [#6]-[#7](-[#6]-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-[#6](=O)-[#6]-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O |r|
Show InChI InChI=1S/C39H46F6N8O5/c1-21-11-28(54)12-22(2)29(21)17-30(46)34(56)50-31(9-6-10-49-37(47)48)35(57)51-32-15-24-7-4-5-8-25(24)19-53(36(32)58)20-33(55)52(3)18-23-13-26(38(40,41)42)16-27(14-23)39(43,44)45/h4-5,7-8,11-14,16,30-32,54H,6,9-10,15,17-20,46H2,1-3H3,(H,50,56)(H,51,57)(H4,47,48,49)/t30-,31+,32-/m0/s1
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0.420n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs


ACS Med Chem Lett 6: 1209-14 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5QQJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50346329
PNG
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES [#6]-[#7](-[#6]-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-[#6](=O)-[#6]-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O |r|
Show InChI InChI=1S/C39H46F6N8O5/c1-21-11-28(54)12-22(2)29(21)17-30(46)34(56)50-31(9-6-10-49-37(47)48)35(57)51-32-15-24-7-4-5-8-25(24)19-53(36(32)58)20-33(55)52(3)18-23-13-26(38(40,41)42)16-27(14-23)39(43,44)45/h4-5,7-8,11-14,16,30-32,54H,6,9-10,15,17-20,46H2,1-3H3,(H,50,56)(H,51,57)(H4,47,48,49)/t30-,31+,32-/m0/s1
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0.420n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs


Eur J Med Chem 92: 64-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50399636
PNG
(CHEMBL2181193)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C33H48N8O5/c1-4-5-12-28(29(35)43)41-18-22-10-7-6-9-21(22)16-27(32(41)46)40-31(45)26(11-8-13-38-33(36)37)39-30(44)25(34)17-24-19(2)14-23(42)15-20(24)3/h6-7,9-10,14-15,25-28,42H,4-5,8,11-13,16-18,34H2,1-3H3,(H2,35,43)(H,39,44)(H,40,45)(H4,36,37,38)/t25-,26+,27-,28-/m0/s1
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0.430n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes after 2 hrs


J Med Chem 55: 9549-61 (2012)


Article DOI: 10.1021/jm3008079
BindingDB Entry DOI: 10.7270/Q2TM7C82
More data for this
Ligand-Target Pair
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