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Compile Data Set for Download or QSAR

Found 224 hits with Last Name = 'pinnen' and Initial = 'f'   
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
D(1B) dopamine receptor


(Homo sapiens (Human)-RAT)
BDBM50164588
PNG
(1-[1-(2-Chloro-phenyl)-cyclopropyl]-6-fluoro-2-met...)
Show SMILES CN1CCc2cc(F)c(O)cc2C1C1(CC1)c1ccccc1Cl
Show InChI InChI=1S/C19H19ClFNO/c1-22-9-6-12-10-16(21)17(23)11-13(12)18(22)19(7-8-19)14-4-2-3-5-15(14)20/h2-5,10-11,18,23H,6-9H2,1H3
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0.180n/an/an/an/an/an/an/an/a



Universit£ G. D'Annunzio

Curated by ChEMBL


Assay Description
Inhibitory constant for Dopamine receptor D1-like


J Med Chem 48: 2646-54 (2005)


Article DOI: 10.1021/jm040889k
BindingDB Entry DOI: 10.7270/Q2QR4XW2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50428089
PNG
(CHEMBL2323577)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-47(66)39(49)23-33-13-17-37(58)18-14-33)45(64)51-28-44(63)56-36(22-32-11-7-4-8-12-32)26-42(61)57-40(24-34-15-19-38(59)20-16-34)48(67)54-30(2)46(65)52-27-43(62)55-35(25-41(50)60)21-31-9-5-3-6-10-31/h3-20,29-30,35-36,39-40,58-59H,21-28,49H2,1-2H3,(H2,50,60)(H,51,64)(H,52,65)(H,53,66)(H,54,67)(H,55,62)(H,56,63)(H,57,61)/t29-,30-,35+,36+,39+,40+/m1/s1
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0.720n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]Deltorphin from DOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis


J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Mu-type 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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1n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes by liquid scintillation counting based competition binding assay


ACS Med Chem Lett 5: 1032-6 (2014)


Article DOI: 10.1021/ml500241n
BindingDB Entry DOI: 10.7270/Q23T9JS5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50428089
PNG
(CHEMBL2323577)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-47(66)39(49)23-33-13-17-37(58)18-14-33)45(64)51-28-44(63)56-36(22-32-11-7-4-8-12-32)26-42(61)57-40(24-34-15-19-38(59)20-16-34)48(67)54-30(2)46(65)52-27-43(62)55-35(25-41(50)60)21-31-9-5-3-6-10-31/h3-20,29-30,35-36,39-40,58-59H,21-28,49H2,1-2H3,(H2,50,60)(H,51,64)(H,52,65)(H,53,66)(H,54,67)(H,55,62)(H,56,63)(H,57,61)/t29-,30-,35+,36+,39+,40+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis


J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM21014
PNG
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)
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)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis


J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50087065
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24-,28-,29-,30-,33-,34-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6deltorphin-2 from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Mu-type 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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1.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50026764
PNG
(CHEMBL3331509)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C40H57N7O11/c1-6-22(3)33(39(57)42-21-32(51)52)47-40(58)34(23(4)7-2)46-37(55)29(17-18-31(49)50)44-38(56)30(20-25-11-9-8-10-12-25)45-35(53)24(5)43-36(54)28(41)19-26-13-15-27(48)16-14-26/h8-16,22-24,28-30,33-34,48H,6-7,17-21,41H2,1-5H3,(H,42,57)(H,43,54)(H,44,56)(H,45,53)(H,46,55)(H,47,58)(H,49,50)(H,51,52)/t22-,23-,24-,28-,29-,30-,33-,34-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6deltorphin II from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting based competition b...


ACS Med Chem Lett 5: 1032-6 (2014)


Article DOI: 10.1021/ml500241n
BindingDB Entry DOI: 10.7270/Q23T9JS5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50026762
PNG
(CHEMBL3331510)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C50H62N10O10S2/c1-49(2)41(57-43(65)35(51)23-31-15-19-33(61)20-16-31)47(69)53-27-39(63)55-37(25-29-11-7-5-8-12-29)45(67)59-60-46(68)38(26-30-13-9-6-10-14-30)56-40(64)28-54-48(70)42(50(3,4)72-71-49)58-44(66)36(52)24-32-17-21-34(62)22-18-32/h5-22,35-38,41-42,61-62H,23-28,51-52H2,1-4H3,(H,53,69)(H,54,70)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t35-,36-,37-,38-,41-,42-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes by liquid scintillation counting based competition binding assay


ACS Med Chem Lett 5: 1032-6 (2014)


Article DOI: 10.1021/ml500241n
BindingDB Entry DOI: 10.7270/Q23T9JS5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50295263
PNG
((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H36N6O5/c34-25(16-21-10-12-23(40)13-11-21)33(44)39-15-14-29(39)32(43)38-28(18-22-19-36-26-9-5-4-8-24(22)26)31(42)37-27(30(35)41)17-20-6-2-1-3-7-20/h1-13,19,25,27-29,36,40H,14-18,34H2,(H2,35,41)(H,37,42)(H,38,43)/t25-,27-,28-,29-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM21014
PNG
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)
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)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes by liquid scintillation counting based competition binding assay


ACS Med Chem Lett 5: 1032-6 (2014)


Article DOI: 10.1021/ml500241n
BindingDB Entry DOI: 10.7270/Q23T9JS5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM21014
PNG
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)
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)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]Deltorphin from DOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis


J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Mu-type 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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3.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50026762
PNG
(CHEMBL3331510)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C50H62N10O10S2/c1-49(2)41(57-43(65)35(51)23-31-15-19-33(61)20-16-31)47(69)53-27-39(63)55-37(25-29-11-7-5-8-12-29)45(67)59-60-46(68)38(26-30-13-9-6-10-14-30)56-40(64)28-54-48(70)42(50(3,4)72-71-49)58-44(66)36(52)24-32-17-21-34(62)22-18-32/h5-22,35-38,41-42,61-62H,23-28,51-52H2,1-4H3,(H,53,69)(H,54,70)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t35-,36-,37-,38-,41-,42-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6deltorphin II from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting based competition b...


ACS Med Chem Lett 5: 1032-6 (2014)


Article DOI: 10.1021/ml500241n
BindingDB Entry DOI: 10.7270/Q23T9JS5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50295264
PNG
((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H35N5O5/c32-24(17-22-11-13-23(37)14-12-22)31(41)36-16-15-27(36)30(40)35-26(19-21-9-5-2-6-10-21)29(39)34-25(28(33)38)18-20-7-3-1-4-8-20/h1-14,24-27,37H,15-19,32H2,(H2,33,38)(H,34,39)(H,35,40)/t24-,25-,26-,27-/m0/s1
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5.60n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in Wistar rat brain membranes by liquid scintillation counting based competition binding assay


ACS Med Chem Lett 5: 1032-6 (2014)


Article DOI: 10.1021/ml500241n
BindingDB Entry DOI: 10.7270/Q23T9JS5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50295262
PNG
((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC=C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:15|
Show InChI InChI=1S/C32H35N5O5/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/h1-16,25-28,38H,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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8.10n/an/an/an/an/an/an/an/a



Universit£ G. D'Annunzio

Curated by ChEMBL


Assay Description
Inhibitory constant for [3H]SCH-23390 binding to Dopamine receptor D1-like of porcine striatal membranes


J Med Chem 48: 2646-54 (2005)


Article DOI: 10.1021/jm040889k
BindingDB Entry DOI: 10.7270/Q2QR4XW2
More data for this
Ligand-Target Pair
Mu-type 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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8.23n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50320022
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H35N5O5/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/h1-6,8-11,13-16,19,25,27-28,38H,7,12,17-18,20,33H2,(H2,34,39)(H,35,40)(H,36,41)/b26-19-/t25-,27-,28-/m0/s1
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8.40n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


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


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Mu-type 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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9.56n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Mu-type 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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9.60n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


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


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50095155
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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
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10.7n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM21014
PNG
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)
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)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
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15n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6deltorphin II from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting based competition b...


ACS Med Chem Lett 5: 1032-6 (2014)


Article DOI: 10.1021/ml500241n
BindingDB Entry DOI: 10.7270/Q23T9JS5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326889
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H37N5O6S/c32-26(17-23-11-13-24(37)14-12-23)31(40)36-16-15-25(20-36)43(41,42)35-28(19-22-9-5-2-6-10-22)30(39)34-27(29(33)38)18-21-7-3-1-4-8-21/h1-14,25-28,35,37H,15-20,32H2,(H2,33,38)(H,34,39)/t25-,26-,27-,28-/m0/s1
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19n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326886
PNG
((R)-1-((S)-2-(2-((R)-1-((S)-2-amino-3-(4-hydroxyph...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C29H37N5O5/c30-23(16-20-10-12-22(35)13-11-20)28(38)33-14-4-8-21(33)18-26(36)32-24(17-19-6-2-1-3-7-19)29(39)34-15-5-9-25(34)27(31)37/h1-3,6-7,10-13,21,23-25,35H,4-5,8-9,14-18,30H2,(H2,31,37)(H,32,36)/t21-,23+,24+,25-/m1/s1
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30n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50295265
PNG
(CHEMBL540482 | N-((S)-1-((S)-1-amino-1-oxo-3-pheny...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H36N6O5/c34-26(14-21-10-12-24(40)13-11-21)33(44)39-18-23(19-39)31(42)38-29(16-22-17-36-27-9-5-4-8-25(22)27)32(43)37-28(30(35)41)15-20-6-2-1-3-7-20/h1-13,17,23,26,28-29,36,40H,14-16,18-19,34H2,(H2,35,41)(H,37,43)(H,38,42)/t26-,28-,29-/m0/s1
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34n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493362
PNG
(CHEMBL2425432)
Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C36H45N5O6.C2HF3O2/c1-39(31(33(44)38-19-21-42)23-25-10-5-3-6-11-25)36(47)32(24-26-12-7-4-8-13-26)40(2)35(46)30-14-9-20-41(30)34(45)29(37)22-27-15-17-28(43)18-16-27;3-2(4,5)1(6)7/h3-8,10-13,15-18,29-32,42-43H,9,14,19-24,37H2,1-2H3,(H,38,44);(H,6,7)/t29-,30-,31-,32-;/m0./s1
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34n/an/an/an/an/an/an/an/a



Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50295261
PNG
(CHEMBL549770 | N-((S)-1-((S)-1-amino-1-oxo-3-pheny...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NC(=C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C30H33N5O5/c1-19(33-29(39)24(31)16-22-12-14-23(36)15-13-22)28(38)35-26(18-21-10-6-3-7-11-21)30(40)34-25(27(32)37)17-20-8-4-2-5-9-20/h2-15,24-26,36H,1,16-18,31H2,(H2,32,37)(H,33,39)(H,34,40)(H,35,38)/t24-,25-,26-/m0/s1
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34n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50397109
PNG
(CHEMBL2171847)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 |r|
Show InChI InChI=1S/C32H35N5O5/c33-25(15-22-11-13-24(38)14-12-22)32(42)37-19-23-18-28(37)31(41)36-27(17-21-9-5-2-6-10-21)30(40)35-26(29(39)34-23)16-20-7-3-1-4-8-20/h1-14,23,25-28,38H,15-19,33H2,(H,34,39)(H,35,40)(H,36,41)/t23?,25-,26-,27+,28-/m0/s1
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38n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara G. d'Annunzio

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter


J Med Chem 55: 8477-82 (2012)


Article DOI: 10.1021/jm300947s
BindingDB Entry DOI: 10.7270/Q2NP25JD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50295265
PNG
(CHEMBL540482 | N-((S)-1-((S)-1-amino-1-oxo-3-pheny...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H36N6O5/c34-26(14-21-10-12-24(40)13-11-21)33(44)39-18-23(19-39)31(42)38-29(16-22-17-36-27-9-5-4-8-25(22)27)32(43)37-28(30(35)41)15-20-6-2-1-3-7-20/h1-13,17,23,26,28-29,36,40H,14-16,18-19,34H2,(H2,35,41)(H,37,43)(H,38,42)/t26-,28-,29-/m0/s1
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40n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDE from delta opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50428088
PNG
(CHEMBL2323575)
Show SMILES C[C@H](CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-46(65)37(49)23-33-13-17-35(58)18-14-33)21-41(60)52-28-44(63)56-39(25-32-11-7-4-8-12-32)48(67)57-40(26-34-15-19-36(59)20-16-34)47(66)54-30(2)22-42(61)51-27-43(62)55-38(45(50)64)24-31-9-5-3-6-10-31/h3-20,29-30,37-40,58-59H,21-28,49H2,1-2H3,(H2,50,64)(H,51,61)(H,52,60)(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,67)/t29-,30-,37+,38+,39+,40+/m1/s1
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57n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis


J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326885
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-27(18-24-13-15-26(39)16-14-24)33(43)38-17-7-12-25(38)21-30(40)36-29(20-23-10-5-2-6-11-23)32(42)37-28(31(35)41)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,39H,7,12,17-21,34H2,(H2,35,41)(H,36,40)(H,37,42)/t25-,27-,28-,29-/m0/s1
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58n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50428087
PNG
(CHEMBL2323574)
Show SMILES C[C@@H](NC(=O)C[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-41(60)25-35(49)21-33-13-17-37(58)18-14-33)46(65)52-28-44(63)57-40(24-32-11-7-4-8-12-32)48(67)55-36(22-34-15-19-38(59)20-16-34)26-42(61)54-30(2)47(66)51-27-43(62)56-39(45(50)64)23-31-9-5-3-6-10-31/h3-20,29-30,35-36,39-40,58-59H,21-28,49H2,1-2H3,(H2,50,64)(H,51,66)(H,52,65)(H,53,60)(H,54,61)(H,55,67)(H,56,62)(H,57,63)/t29-,30-,35+,36+,39+,40+/m1/s1
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62n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis


J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326888
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H37N5O6S/c32-26(17-23-11-13-24(37)14-12-23)31(40)36-16-15-25(20-36)43(41,42)35-28(19-22-9-5-2-6-10-22)30(39)34-27(29(33)38)18-21-7-3-1-4-8-21/h1-14,25-28,35,37H,15-20,32H2,(H2,33,38)(H,34,39)/t25-,26+,27+,28+/m1/s1
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63n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50397110
PNG
(CHEMBL2171846)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N2 |r|
Show InChI InChI=1S/C32H35N5O5/c33-25(15-22-11-13-24(38)14-12-22)32(42)37-19-23-18-28(37)31(41)36-27(17-21-9-5-2-6-10-21)30(40)35-26(29(39)34-23)16-20-7-3-1-4-8-20/h1-14,23,25-28,38H,15-19,33H2,(H,34,39)(H,35,40)(H,36,41)/t23?,25-,26+,27+,28-/m0/s1
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63n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara G. d'Annunzio

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter


J Med Chem 55: 8477-82 (2012)


Article DOI: 10.1021/jm300947s
BindingDB Entry DOI: 10.7270/Q2NP25JD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493361
PNG
(CHEMBL2425429)
Show SMILES OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCO |r|
Show InChI InChI=1S/C34H41N5O6.C2HF3O2/c35-27(20-25-13-15-26(41)16-14-25)34(45)39-18-7-12-30(39)33(44)38-29(22-24-10-5-2-6-11-24)32(43)37-28(31(42)36-17-19-40)21-23-8-3-1-4-9-23;3-2(4,5)1(6)7/h1-6,8-11,13-16,27-30,40-41H,7,12,17-22,35H2,(H,36,42)(H,37,43)(H,38,44);(H,6,7)/t27-,28-,29-,30-;/m0./s1
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90n/an/an/an/an/an/an/an/a



Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326883
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H39N5O6S/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-44(42,43)36-29(20-23-10-5-2-6-11-23)31(40)35-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,36,38H,7,12,17-21,33H2,(H2,34,39)(H,35,40)/t25-,27-,28-,29-/m0/s1
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100n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50320023
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(=C/c1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H33N5O5/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/h1-6,8-11,13-16,19-20,25,28,38H,7,12,17-18,33H2,(H2,34,39)(H,35,40)(H,36,41)/b26-19-,27-20-/t25-,28-/m0/s1
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130n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


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


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50166066
PNG
(CHEMBL362991 | H-Tyr-Pro-Phe-Pro-NH2 | MORPHICEPTI...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23-,24-/m0/s1
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135n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493359
PNG
(CHEMBL2425430)
Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C35H43N5O6.C2HF3O2/c1-39(35(46)30-13-8-19-40(30)34(45)28(36)21-26-14-16-27(42)17-15-26)31(23-25-11-6-3-7-12-25)33(44)38-29(32(43)37-18-20-41)22-24-9-4-2-5-10-24;3-2(4,5)1(6)7/h2-7,9-12,14-17,28-31,41-42H,8,13,18-23,36H2,1H3,(H,37,43)(H,38,44);(H,6,7)/t28-,29-,30-,31-;/m0./s1
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155n/an/an/an/an/an/an/an/a



Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50164591
PNG
(((1R,2R)-5-Fluoro-6-methoxy-1-phenyl-indan-2-yl)-d...)
Show SMILES CCCN(CCC)[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C22H28FNO/c1-4-11-24(12-5-2)20-14-17-13-19(23)21(25-3)15-18(17)22(20)16-9-7-6-8-10-16/h6-10,13,15,20,22H,4-5,11-12,14H2,1-3H3/t20-,22-/m1/s1
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170n/an/an/an/an/an/an/an/a



Universit£ G. D'Annunzio

Curated by ChEMBL


Assay Description
Inhibitory constant for [3H]YM-09151-2 binding to Dopamine receptor D2-like in porcine striatal membranes


J Med Chem 48: 2646-54 (2005)


Article DOI: 10.1021/jm040889k
BindingDB Entry DOI: 10.7270/Q2QR4XW2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50428090
PNG
(CHEMBL2323576)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-46(65)37(49)25-33-13-17-35(58)18-14-33)44(63)51-24-22-42(61)56-39(27-32-11-7-4-8-12-32)48(67)57-40(28-34-15-19-36(59)20-16-34)47(66)54-30(2)45(64)52-23-21-41(60)55-38(43(50)62)26-31-9-5-3-6-10-31/h3-20,29-30,37-40,58-59H,21-28,49H2,1-2H3,(H2,50,62)(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,60)(H,56,61)(H,57,67)/t29-,30-,37+,38+,39+,40+/m1/s1
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172n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis


J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50320024
PNG
((S)-N-(3-((S)-1-amino-1-oxo-3-phenylpropan-2-ylami...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H35N5O5/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/h1-6,8-11,13-16,20,25-26,28,38H,7,12,17-19,33H2,(H2,34,39)(H,35,40)(H,36,41)/b27-20-/t25-,26-,28-/m0/s1
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200n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


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


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50295260
PNG
(CHEMBL564939 | N-((S)-1-((S)-1-amino-1-oxo-3-pheny...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H35N5O5/c32-25(15-22-11-13-24(37)14-12-22)31(41)36-18-23(19-36)29(39)35-27(17-21-9-5-2-6-10-21)30(40)34-26(28(33)38)16-20-7-3-1-4-8-20/h1-14,23,25-27,37H,15-19,32H2,(H2,33,38)(H,34,40)(H,35,39)/t25-,26-,27-/m0/s1
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210n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493360
PNG
(CHEMBL2425428)
Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C35H43N5O6.C2HF3O2/c1-39(31(32(43)37-18-20-41)23-25-11-6-3-7-12-25)35(46)29(22-24-9-4-2-5-10-24)38-33(44)30-13-8-19-40(30)34(45)28(36)21-26-14-16-27(42)17-15-26;3-2(4,5)1(6)7/h2-7,9-12,14-17,28-31,41-42H,8,13,18-23,36H2,1H3,(H,37,43)(H,38,44);(H,6,7)/t28-,29-,30-,31-;/m0./s1
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224n/an/an/an/an/an/an/an/a



Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50428090
PNG
(CHEMBL2323576)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-46(65)37(49)25-33-13-17-35(58)18-14-33)44(63)51-24-22-42(61)56-39(27-32-11-7-4-8-12-32)48(67)57-40(28-34-15-19-36(59)20-16-34)47(66)54-30(2)45(64)52-23-21-41(60)55-38(43(50)62)26-31-9-5-3-6-10-31/h3-20,29-30,37-40,58-59H,21-28,49H2,1-2H3,(H2,50,62)(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,60)(H,56,61)(H,57,67)/t29-,30-,37+,38+,39+,40+/m1/s1
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240n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]Deltorphin from DOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis


J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50164580
PNG
((1R,2R)-6-Fluoro-2-(methyl-propyl-amino)-1-phenyl-...)
Show SMILES CCCN(C)[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C19H22FNO/c1-3-9-21(2)17-10-14-11-18(22)16(20)12-15(14)19(17)13-7-5-4-6-8-13/h4-8,11-12,17,19,22H,3,9-10H2,1-2H3/t17-,19-/m1/s1
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240n/an/an/an/an/an/an/an/a



Universit£ G. D'Annunzio

Curated by ChEMBL


Assay Description
Inhibitory constant for [3H]YM-09151-2 binding to Dopamine receptor D2-like in porcine striatal membranes


J Med Chem 48: 2646-54 (2005)


Article DOI: 10.1021/jm040889k
BindingDB Entry DOI: 10.7270/Q2QR4XW2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50026762
PNG
(CHEMBL3331510)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C50H62N10O10S2/c1-49(2)41(57-43(65)35(51)23-31-15-19-33(61)20-16-31)47(69)53-27-39(63)55-37(25-29-11-7-5-8-12-29)45(67)59-60-46(68)38(26-30-13-9-6-10-14-30)56-40(64)28-54-48(70)42(50(3,4)72-71-49)58-44(66)36(52)24-32-17-21-34(62)22-18-32/h5-22,35-38,41-42,61-62H,23-28,51-52H2,1-4H3,(H,53,69)(H,54,70)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t35-,36-,37-,38-,41-,42-/m0/s1
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258n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in Wistar rat brain membranes by liquid scintillation counting based competition binding assay


ACS Med Chem Lett 5: 1032-6 (2014)


Article DOI: 10.1021/ml500241n
BindingDB Entry DOI: 10.7270/Q23T9JS5
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50164593
PNG
(((1R,2R)-6-Fluoro-5-methoxy-1-phenyl-indan-2-yl)-m...)
Show SMILES CCCN(C)[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C20H24FNO/c1-4-10-22(2)18-11-15-12-19(23-3)17(21)13-16(15)20(18)14-8-6-5-7-9-14/h5-9,12-13,18,20H,4,10-11H2,1-3H3/t18-,20-/m1/s1
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270n/an/an/an/an/an/an/an/a



Universit£ G. D'Annunzio

Curated by ChEMBL


Assay Description
Inhibitory constant for [3H]YM-09151-2 binding to Dopamine receptor D2-like in porcine striatal membranes


J Med Chem 48: 2646-54 (2005)


Article DOI: 10.1021/jm040889k
BindingDB Entry DOI: 10.7270/Q2QR4XW2
More data for this
Ligand-Target Pair
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