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11 similar compounds to monomer 50083544

Wt: 793.9
BDBM50083509
Wt: 790.9
BDBM50083510
Wt: 790.9
BDBM50083540
Wt: 772.9
BDBM50083546
Wt: 693.8
BDBM50083550
Wt: 793.9
BDBM50083554
Wt: 790.9
BDBM50083558
Wt: 787.0
BDBM50083559
Wt: 659.7
BDBM50083560
Wt: 696.8
BDBM50083551
Wt: 673.8
BDBM50083555

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 50 hits for monomerid = 50083509,50083510,50083540,50083546,50083550,50083554,50083558,50083559,50083560,50083551,50083555   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50083509
PNG
(CHEMBL3423402)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1/C44H59N9O5/c45-21-8-7-15-35(41(46)55)50-43(57)36(25-29-26-48-33-13-5-3-11-30(29)33)51-44(58)38-16-10-23-53(38)39(54)17-2-1-9-22-47-42(56)28-18-19-37-40-32(20-24-52(37)27-28)31-12-4-6-14-34(31)49-40/h3-6,11-14,26,28,35-38,48-49H,1-2,7-10,15-25,27,45H2,(H2,46,55)(H,47,56)(H,50,57)(H,51,58)/t28-,35-,36-,37+,38-/s2
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n/an/an/a 7.00E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50083510
PNG
(CHEMBL3423411)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33+,34+,35+,36-/s2
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n/an/an/a 3.00E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant afte...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50083540
PNG
(CHEMBL3423410)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33-,34-,35+,36+/s2
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n/an/an/a 200n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50083546
PNG
(CHEMBL3423408)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1/C42H57FN8O5/c1-2-3-10-33(41(55)49-34(22-26-13-16-28(43)17-14-26)42(56)51-25-29(44)23-36(51)39(45)53)47-37(52)12-5-4-8-20-46-40(54)27-15-18-35-38-31(19-21-50(35)24-27)30-9-6-7-11-32(30)48-38/h6-7,9,11,13-14,16-17,27,29,33-36,48H,2-5,8,10,12,15,18-25,44H2,1H3,(H2,45,53)(H,46,54)(H,47,52)(H,49,55)/t27-,29-,33-,34-,35+,36-/s2
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n/an/an/a 500n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50083550
PNG
(CHEMBL3423407)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C37H49F2N7O4/c1-2-3-9-30(44-35(48)23-13-15-32-33-25(16-18-46(32)21-23)24-8-4-5-10-28(24)42-33)36(49)45-31(20-22-12-14-26(38)27(39)19-22)37(50)43-29(34(41)47)11-6-7-17-40/h4-5,8,10,12,14,19,23,29-32,42H,2-3,6-7,9,11,13,15-18,20-21,40H2,1H3,(H2,41,47)(H,43,50)(H,44,48)(H,45,49)/t23-,29-,30-,31-,32+/s2
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n/an/an/a 190n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50083551
PNG
(CHEMBL3423406)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C39H52N8O4/c1-2-3-12-32(45-37(49)24-16-17-34-35-28(18-20-47(34)23-24)27-11-5-7-14-30(27)43-35)38(50)46-33(21-25-22-42-29-13-6-4-10-26(25)29)39(51)44-31(36(41)48)15-8-9-19-40/h4-7,10-11,13-14,22,24,31-34,42-43H,2-3,8-9,12,15-21,23,40H2,1H3,(H2,41,48)(H,44,51)(H,45,49)(H,46,50)/t24-,31-,32-,33-,34+/s2
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n/an/an/a 900n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50083554
PNG
(CHEMBL3423405)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1/C44H59N9O5/c1-2-3-13-35(43(57)51-36(22-28-24-48-33-14-8-6-11-30(28)33)44(58)53-26-29(45)23-38(53)41(46)55)49-39(54)16-5-4-10-20-47-42(56)27-17-18-37-40-32(19-21-52(37)25-27)31-12-7-9-15-34(31)50-40/h6-9,11-12,14-15,24,27,29,35-38,48,50H,2-5,10,13,16-23,25-26,45H2,1H3,(H2,46,55)(H,47,56)(H,49,54)(H,51,57)/t27-,29-,35-,36-,37+,38-/s2
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n/an/an/a 600n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50083555
PNG
(CHEMBL3423404)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C37H51N7O5/c1-2-3-9-30(42-35(47)24-14-17-32-33-27(18-20-44(32)22-24)26-8-4-5-10-28(26)40-33)36(48)43-31(21-23-12-15-25(45)16-13-23)37(49)41-29(34(39)46)11-6-7-19-38/h4-5,8,10,12-13,15-16,24,29-32,40,45H,2-3,6-7,9,11,14,17-22,38H2,1H3,(H2,39,46)(H,41,49)(H,42,47)(H,43,48)/t24-,29-,30-,31-,32+/s2
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n/an/an/a 4.70E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50083558
PNG
(CHEMBL3423403)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33-,34-,35+,36-/s2
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n/an/an/a 280n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50083509
PNG
(CHEMBL3423402)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1/C44H59N9O5/c45-21-8-7-15-35(41(46)55)50-43(57)36(25-29-26-48-33-13-5-3-11-30(29)33)51-44(58)38-16-10-23-53(38)39(54)17-2-1-9-22-47-42(56)28-18-19-37-40-32(20-24-52(37)27-28)31-12-4-6-14-34(31)49-40/h3-6,11-14,26,28,35-38,48-49H,1-2,7-10,15-25,27,45H2,(H2,46,55)(H,47,56)(H,50,57)(H,51,58)/t28-,35-,36-,37+,38-/s2
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n/an/an/a 240n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50083559
PNG
(CHEMBL3423401)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C43H62N8O6/c1-2-3-12-35(42(56)50-36(26-28-16-19-30(52)20-17-28)43(57)49-34(40(45)54)14-8-9-23-44)47-38(53)15-5-4-10-24-46-41(55)29-18-21-37-39-32(22-25-51(37)27-29)31-11-6-7-13-33(31)48-39/h6-7,11,13,16-17,19-20,29,34-37,48,52H,2-5,8-10,12,14-15,18,21-27,44H2,1H3,(H2,45,54)(H,46,55)(H,47,53)(H,49,57)(H,50,56)/t29-,34-,35-,36-,37-/s2
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n/an/an/a 6.30E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50083560
PNG
(CHEMBL3423400)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1/C36H46FN7O4/c1-2-3-7-28(41-34(46)22-11-14-30-32-26(15-16-43(30)19-22)25-6-4-5-8-27(25)40-32)35(47)42-29(17-21-9-12-23(37)13-10-21)36(48)44-20-24(38)18-31(44)33(39)45/h4-6,8-10,12-13,22,24,28-31,40H,2-3,7,11,14-20,38H2,1H3,(H2,39,45)(H,41,46)(H,42,47)/t22-,24-,28-,29-,30-,31-/s2
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n/an/an/a 5.00E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50083546
PNG
(CHEMBL3423408)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1/C42H57FN8O5/c1-2-3-10-33(41(55)49-34(22-26-13-16-28(43)17-14-26)42(56)51-25-29(44)23-36(51)39(45)53)47-37(52)12-5-4-8-20-46-40(54)27-15-18-35-38-31(19-21-50(35)24-27)30-9-6-7-11-32(30)48-38/h6-7,9,11,13-14,16-17,27,29,33-36,48H,2-5,8,10,12,15,18-25,44H2,1H3,(H2,45,53)(H,46,54)(H,47,52)(H,49,55)/t27-,29-,33-,34-,35+,36-/s2
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n/an/an/a 4.00E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50083550
PNG
(CHEMBL3423407)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C37H49F2N7O4/c1-2-3-9-30(44-35(48)23-13-15-32-33-25(16-18-46(32)21-23)24-8-4-5-10-28(24)42-33)36(49)45-31(20-22-12-14-26(38)27(39)19-22)37(50)43-29(34(41)47)11-6-7-17-40/h4-5,8,10,12,14,19,23,29-32,42H,2-3,6-7,9,11,13,15-18,20-21,40H2,1H3,(H2,41,47)(H,43,50)(H,44,48)(H,45,49)/t23-,29-,30-,31-,32+/s2
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n/an/an/a 1.30E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50083551
PNG
(CHEMBL3423406)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C39H52N8O4/c1-2-3-12-32(45-37(49)24-16-17-34-35-28(18-20-47(34)23-24)27-11-5-7-14-30(27)43-35)38(50)46-33(21-25-22-42-29-13-6-4-10-26(25)29)39(51)44-31(36(41)48)15-8-9-19-40/h4-7,10-11,13-14,22,24,31-34,42-43H,2-3,8-9,12,15-21,23,40H2,1H3,(H2,41,48)(H,44,51)(H,45,49)(H,46,50)/t24-,31-,32-,33-,34+/s2
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n/an/an/a 1.90E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50083554
PNG
(CHEMBL3423405)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1/C44H59N9O5/c1-2-3-13-35(43(57)51-36(22-28-24-48-33-14-8-6-11-30(28)33)44(58)53-26-29(45)23-38(53)41(46)55)49-39(54)16-5-4-10-20-47-42(56)27-17-18-37-40-32(19-21-52(37)25-27)31-12-7-9-15-34(31)50-40/h6-9,11-12,14-15,24,27,29,35-38,48,50H,2-5,10,13,16-23,25-26,45H2,1H3,(H2,46,55)(H,47,56)(H,49,54)(H,51,57)/t27-,29-,35-,36-,37+,38-/s2
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n/an/an/a 3.40E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50083555
PNG
(CHEMBL3423404)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C37H51N7O5/c1-2-3-9-30(42-35(47)24-14-17-32-33-27(18-20-44(32)22-24)26-8-4-5-10-28(26)40-33)36(48)43-31(21-23-12-15-25(45)16-13-23)37(49)41-29(34(39)46)11-6-7-19-38/h4-5,8,10,12-13,15-16,24,29-32,40,45H,2-3,6-7,9,11,14,17-22,38H2,1H3,(H2,39,46)(H,41,49)(H,42,47)(H,43,48)/t24-,29-,30-,31-,32+/s2
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n/an/an/a 1.20E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50083558
PNG
(CHEMBL3423403)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33-,34-,35+,36-/s2
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n/an/an/a 1.50E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50083509
PNG
(CHEMBL3423402)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1/C44H59N9O5/c45-21-8-7-15-35(41(46)55)50-43(57)36(25-29-26-48-33-13-5-3-11-30(29)33)51-44(58)38-16-10-23-53(38)39(54)17-2-1-9-22-47-42(56)28-18-19-37-40-32(20-24-52(37)27-28)31-12-4-6-14-34(31)49-40/h3-6,11-14,26,28,35-38,48-49H,1-2,7-10,15-25,27,45H2,(H2,46,55)(H,47,56)(H,50,57)(H,51,58)/t28-,35-,36-,37+,38-/s2
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n/an/an/a 2.90E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50083559
PNG
(CHEMBL3423401)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C43H62N8O6/c1-2-3-12-35(42(56)50-36(26-28-16-19-30(52)20-17-28)43(57)49-34(40(45)54)14-8-9-23-44)47-38(53)15-5-4-10-24-46-41(55)29-18-21-37-39-32(22-25-51(37)27-29)31-11-6-7-13-33(31)48-39/h6-7,11,13,16-17,19-20,29,34-37,48,52H,2-5,8-10,12,14-15,18,21-27,44H2,1H3,(H2,45,54)(H,46,55)(H,47,53)(H,49,57)(H,50,56)/t29-,34-,35-,36-,37-/s2
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n/an/an/a 3.80E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50083560
PNG
(CHEMBL3423400)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1/C36H46FN7O4/c1-2-3-7-28(41-34(46)22-11-14-30-32-26(15-16-43(30)19-22)25-6-4-5-8-27(25)40-32)35(47)42-29(17-21-9-12-23(37)13-10-21)36(48)44-20-24(38)18-31(44)33(39)45/h4-6,8-10,12-13,22,24,28-31,40H,2-3,7,11,14-20,38H2,1H3,(H2,39,45)(H,41,46)(H,42,47)/t22-,24-,28-,29-,30-,31-/s2
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n/an/an/a 2.70E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50083558
PNG
(CHEMBL3423403)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33-,34-,35+,36-/s2
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n/an/an/a 9.00E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50083554
PNG
(CHEMBL3423405)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1/C44H59N9O5/c1-2-3-13-35(43(57)51-36(22-28-24-48-33-14-8-6-11-30(28)33)44(58)53-26-29(45)23-38(53)41(46)55)49-39(54)16-5-4-10-20-47-42(56)27-17-18-37-40-32(19-21-52(37)25-27)31-12-7-9-15-34(31)50-40/h6-9,11-12,14-15,24,27,29,35-38,48,50H,2-5,10,13,16-23,25-26,45H2,1H3,(H2,46,55)(H,47,56)(H,49,54)(H,51,57)/t27-,29-,35-,36-,37+,38-/s2
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n/an/an/a 2.00E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50083551
PNG
(CHEMBL3423406)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C39H52N8O4/c1-2-3-12-32(45-37(49)24-16-17-34-35-28(18-20-47(34)23-24)27-11-5-7-14-30(27)43-35)38(50)46-33(21-25-22-42-29-13-6-4-10-26(25)29)39(51)44-31(36(41)48)15-8-9-19-40/h4-7,10-11,13-14,22,24,31-34,42-43H,2-3,8-9,12,15-21,23,40H2,1H3,(H2,41,48)(H,44,51)(H,45,49)(H,46,50)/t24-,31-,32-,33-,34+/s2
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n/an/an/a 1.60E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50083550
PNG
(CHEMBL3423407)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C37H49F2N7O4/c1-2-3-9-30(44-35(48)23-13-15-32-33-25(16-18-46(32)21-23)24-8-4-5-10-28(24)42-33)36(49)45-31(20-22-12-14-26(38)27(39)19-22)37(50)43-29(34(41)47)11-6-7-17-40/h4-5,8,10,12,14,19,23,29-32,42H,2-3,6-7,9,11,13,15-18,20-21,40H2,1H3,(H2,41,47)(H,43,50)(H,44,48)(H,45,49)/t23-,29-,30-,31-,32+/s2
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n/an/an/a 8.00E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50083546
PNG
(CHEMBL3423408)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1/C42H57FN8O5/c1-2-3-10-33(41(55)49-34(22-26-13-16-28(43)17-14-26)42(56)51-25-29(44)23-36(51)39(45)53)47-37(52)12-5-4-8-20-46-40(54)27-15-18-35-38-31(19-21-50(35)24-27)30-9-6-7-11-32(30)48-38/h6-7,9,11,13-14,16-17,27,29,33-36,48H,2-5,8,10,12,15,18-25,44H2,1H3,(H2,45,53)(H,46,54)(H,47,52)(H,49,55)/t27-,29-,33-,34-,35+,36-/s2
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n/an/an/a 1.30E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50083540
PNG
(CHEMBL3423410)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33-,34-,35+,36+/s2
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n/an/an/a 4.00E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50083510
PNG
(CHEMBL3423411)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33+,34+,35+,36-/s2
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n/an/an/a 1.40E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50083540
PNG
(CHEMBL3423410)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33-,34-,35+,36+/s2
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n/an/an/a 1.50E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50083510
PNG
(CHEMBL3423411)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33+,34+,35+,36-/s2
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n/an/an/a 1.60E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50083560
PNG
(CHEMBL3423400)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1/C36H46FN7O4/c1-2-3-7-28(41-34(46)22-11-14-30-32-26(15-16-43(30)19-22)25-6-4-5-8-27(25)40-32)35(47)42-29(17-21-9-12-23(37)13-10-21)36(48)44-20-24(38)18-31(44)33(39)45/h4-6,8-10,12-13,22,24,28-31,40H,2-3,7,11,14-20,38H2,1H3,(H2,39,45)(H,41,46)(H,42,47)/t22-,24-,28-,29-,30-,31-/s2
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n/an/an/a 1.20E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-R-PIA from adenosine A1 receptor (unknown origin) expressed in sheep striatum membranes after 2 hrs by scintillation counting an...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50083559
PNG
(CHEMBL3423401)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C43H62N8O6/c1-2-3-12-35(42(56)50-36(26-28-16-19-30(52)20-17-28)43(57)49-34(40(45)54)14-8-9-23-44)47-38(53)15-5-4-10-24-46-41(55)29-18-21-37-39-32(22-25-51(37)27-29)31-11-6-7-13-33(31)48-39/h6-7,11,13,16-17,19-20,29,34-37,48,52H,2-5,8-10,12,14-15,18,21-27,44H2,1H3,(H2,45,54)(H,46,55)(H,47,53)(H,49,57)(H,50,56)/t29-,34-,35-,36-,37-/s2
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-R-PIA from adenosine A1 receptor (unknown origin) expressed in sheep striatum membranes after 2 hrs by scintillation counting an...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50083509
PNG
(CHEMBL3423402)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1/C44H59N9O5/c45-21-8-7-15-35(41(46)55)50-43(57)36(25-29-26-48-33-13-5-3-11-30(29)33)51-44(58)38-16-10-23-53(38)39(54)17-2-1-9-22-47-42(56)28-18-19-37-40-32(20-24-52(37)27-28)31-12-4-6-14-34(31)49-40/h3-6,11-14,26,28,35-38,48-49H,1-2,7-10,15-25,27,45H2,(H2,46,55)(H,47,56)(H,50,57)(H,51,58)/t28-,35-,36-,37+,38-/s2
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-R-PIA from adenosine A1 receptor (unknown origin) expressed in sheep striatum membranes after 2 hrs by scintillation counting an...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50083558
PNG
(CHEMBL3423403)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33-,34-,35+,36-/s2
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-R-PIA from adenosine A1 receptor (unknown origin) expressed in sheep striatum membranes after 2 hrs by scintillation counting an...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50083555
PNG
(CHEMBL3423404)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C37H51N7O5/c1-2-3-9-30(42-35(47)24-14-17-32-33-27(18-20-44(32)22-24)26-8-4-5-10-28(26)40-33)36(48)43-31(21-23-12-15-25(45)16-13-23)37(49)41-29(34(39)46)11-6-7-19-38/h4-5,8,10,12-13,15-16,24,29-32,40,45H,2-3,6-7,9,11,14,17-22,38H2,1H3,(H2,39,46)(H,41,49)(H,42,47)(H,43,48)/t24-,29-,30-,31-,32+/s2
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-R-PIA from adenosine A1 receptor (unknown origin) expressed in sheep striatum membranes after 2 hrs by scintillation counting an...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50083554
PNG
(CHEMBL3423405)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1/C44H59N9O5/c1-2-3-13-35(43(57)51-36(22-28-24-48-33-14-8-6-11-30(28)33)44(58)53-26-29(45)23-38(53)41(46)55)49-39(54)16-5-4-10-20-47-42(56)27-17-18-37-40-32(19-21-52(37)25-27)31-12-7-9-15-34(31)50-40/h6-9,11-12,14-15,24,27,29,35-38,48,50H,2-5,10,13,16-23,25-26,45H2,1H3,(H2,46,55)(H,47,56)(H,49,54)(H,51,57)/t27-,29-,35-,36-,37+,38-/s2
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-R-PIA from adenosine A1 receptor (unknown origin) expressed in sheep striatum membranes after 2 hrs by scintillation counting an...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50083551
PNG
(CHEMBL3423406)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C39H52N8O4/c1-2-3-12-32(45-37(49)24-16-17-34-35-28(18-20-47(34)23-24)27-11-5-7-14-30(27)43-35)38(50)46-33(21-25-22-42-29-13-6-4-10-26(25)29)39(51)44-31(36(41)48)15-8-9-19-40/h4-7,10-11,13-14,22,24,31-34,42-43H,2-3,8-9,12,15-21,23,40H2,1H3,(H2,41,48)(H,44,51)(H,45,49)(H,46,50)/t24-,31-,32-,33-,34+/s2
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-R-PIA from adenosine A1 receptor (unknown origin) expressed in sheep striatum membranes after 2 hrs by scintillation counting an...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50083550
PNG
(CHEMBL3423407)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C37H49F2N7O4/c1-2-3-9-30(44-35(48)23-13-15-32-33-25(16-18-46(32)21-23)24-8-4-5-10-28(24)42-33)36(49)45-31(20-22-12-14-26(38)27(39)19-22)37(50)43-29(34(41)47)11-6-7-17-40/h4-5,8,10,12,14,19,23,29-32,42H,2-3,6-7,9,11,13,15-18,20-21,40H2,1H3,(H2,41,47)(H,43,50)(H,44,48)(H,45,49)/t23-,29-,30-,31-,32+/s2
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-R-PIA from adenosine A1 receptor (unknown origin) expressed in sheep striatum membranes after 2 hrs by scintillation counting an...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50083546
PNG
(CHEMBL3423408)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1/C42H57FN8O5/c1-2-3-10-33(41(55)49-34(22-26-13-16-28(43)17-14-26)42(56)51-25-29(44)23-36(51)39(45)53)47-37(52)12-5-4-8-20-46-40(54)27-15-18-35-38-31(19-21-50(35)24-27)30-9-6-7-11-32(30)48-38/h6-7,9,11,13-14,16-17,27,29,33-36,48H,2-5,8,10,12,15,18-25,44H2,1H3,(H2,45,53)(H,46,54)(H,47,52)(H,49,55)/t27-,29-,33-,34-,35+,36-/s2
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-R-PIA from adenosine A1 receptor (unknown origin) expressed in sheep striatum membranes after 2 hrs by scintillation counting an...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50083560
PNG
(CHEMBL3423400)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1/C36H46FN7O4/c1-2-3-7-28(41-34(46)22-11-14-30-32-26(15-16-43(30)19-22)25-6-4-5-8-27(25)40-32)35(47)42-29(17-21-9-12-23(37)13-10-21)36(48)44-20-24(38)18-31(44)33(39)45/h4-6,8-10,12-13,22,24,28-31,40H,2-3,7,11,14-20,38H2,1H3,(H2,39,45)(H,41,46)(H,42,47)/t22-,24-,28-,29-,30-,31-/s2
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n/an/an/a 1.40E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from adenosine A2 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation counti...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50083559
PNG
(CHEMBL3423401)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C43H62N8O6/c1-2-3-12-35(42(56)50-36(26-28-16-19-30(52)20-17-28)43(57)49-34(40(45)54)14-8-9-23-44)47-38(53)15-5-4-10-24-46-41(55)29-18-21-37-39-32(22-25-51(37)27-29)31-11-6-7-13-33(31)48-39/h6-7,11,13,16-17,19-20,29,34-37,48,52H,2-5,8-10,12,14-15,18,21-27,44H2,1H3,(H2,45,54)(H,46,55)(H,47,53)(H,49,57)(H,50,56)/t29-,34-,35-,36-,37-/s2
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n/an/an/a 1.60E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from adenosine A2 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation counti...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50083509
PNG
(CHEMBL3423402)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1/C44H59N9O5/c45-21-8-7-15-35(41(46)55)50-43(57)36(25-29-26-48-33-13-5-3-11-30(29)33)51-44(58)38-16-10-23-53(38)39(54)17-2-1-9-22-47-42(56)28-18-19-37-40-32(20-24-52(37)27-28)31-12-4-6-14-34(31)49-40/h3-6,11-14,26,28,35-38,48-49H,1-2,7-10,15-25,27,45H2,(H2,46,55)(H,47,56)(H,50,57)(H,51,58)/t28-,35-,36-,37+,38-/s2
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n/an/an/a 4.40E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from adenosine A2 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation counti...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50083558
PNG
(CHEMBL3423403)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33-,34-,35+,36-/s2
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n/an/an/a 3.70E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from adenosine A2 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation counti...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50083555
PNG
(CHEMBL3423404)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C37H51N7O5/c1-2-3-9-30(42-35(47)24-14-17-32-33-27(18-20-44(32)22-24)26-8-4-5-10-28(26)40-33)36(48)43-31(21-23-12-15-25(45)16-13-23)37(49)41-29(34(39)46)11-6-7-19-38/h4-5,8,10,12-13,15-16,24,29-32,40,45H,2-3,6-7,9,11,14,17-22,38H2,1H3,(H2,39,46)(H,41,49)(H,42,47)(H,43,48)/t24-,29-,30-,31-,32+/s2
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n/an/an/a 6.00E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from adenosine A2 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation counti...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50083554
PNG
(CHEMBL3423405)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1/C44H59N9O5/c1-2-3-13-35(43(57)51-36(22-28-24-48-33-14-8-6-11-30(28)33)44(58)53-26-29(45)23-38(53)41(46)55)49-39(54)16-5-4-10-20-47-42(56)27-17-18-37-40-32(19-21-52(37)25-27)31-12-7-9-15-34(31)50-40/h6-9,11-12,14-15,24,27,29,35-38,48,50H,2-5,10,13,16-23,25-26,45H2,1H3,(H2,46,55)(H,47,56)(H,49,54)(H,51,57)/t27-,29-,35-,36-,37+,38-/s2
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n/an/an/a 1.80E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from adenosine A2 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation counti...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50083551
PNG
(CHEMBL3423406)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C39H52N8O4/c1-2-3-12-32(45-37(49)24-16-17-34-35-28(18-20-47(34)23-24)27-11-5-7-14-30(27)43-35)38(50)46-33(21-25-22-42-29-13-6-4-10-26(25)29)39(51)44-31(36(41)48)15-8-9-19-40/h4-7,10-11,13-14,22,24,31-34,42-43H,2-3,8-9,12,15-21,23,40H2,1H3,(H2,41,48)(H,44,51)(H,45,49)(H,46,50)/t24-,31-,32-,33-,34+/s2
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n/an/an/a 1.00E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from adenosine A2 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation counti...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50083550
PNG
(CHEMBL3423407)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C37H49F2N7O4/c1-2-3-9-30(44-35(48)23-13-15-32-33-25(16-18-46(32)21-23)24-8-4-5-10-28(24)42-33)36(49)45-31(20-22-12-14-26(38)27(39)19-22)37(50)43-29(34(41)47)11-6-7-17-40/h4-5,8,10,12,14,19,23,29-32,42H,2-3,6-7,9,11,13,15-18,20-21,40H2,1H3,(H2,41,47)(H,43,50)(H,44,48)(H,45,49)/t23-,29-,30-,31-,32+/s2
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n/an/an/a 2.60E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from adenosine A2 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation counti...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50083546
PNG
(CHEMBL3423408)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1/C42H57FN8O5/c1-2-3-10-33(41(55)49-34(22-26-13-16-28(43)17-14-26)42(56)51-25-29(44)23-36(51)39(45)53)47-37(52)12-5-4-8-20-46-40(54)27-15-18-35-38-31(19-21-50(35)24-27)30-9-6-7-11-32(30)48-38/h6-7,9,11,13-14,16-17,27,29,33-36,48H,2-5,8,10,12,15,18-25,44H2,1H3,(H2,45,53)(H,46,54)(H,47,52)(H,49,55)/t27-,29-,33-,34-,35+,36-/s2
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n/an/an/a 2.70E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from adenosine A2 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation counti...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50083540
PNG
(CHEMBL3423410)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33-,34-,35+,36+/s2
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n/an/an/a 2.40E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant afte...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50083510
PNG
(CHEMBL3423411)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33+,34+,35+,36-/s2
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n/an/an/a 400n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)

More data for this
Ligand-Target Pair