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Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'sandström' and Initial = 'a'   
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
Genome polyprotein


(Hepatitis C virus)
BDBM50142916
PNG
((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)NC(=O)OC3CCCC3)cc(nc2c1)-c1csc(NC(C)C)n1 |r,c:22|
Show InChI InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HCV 1a NS3 protease


Bioorg Med Chem 15: 1448-74 (2007)


Article DOI: 10.1016/j.bmc.2006.11.003
BindingDB Entry DOI: 10.7270/Q22B8ZVH
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50436546
PNG
(CHEMBL2397481)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C41H66N14O9/c42-19-5-4-12-28(52-38(62)30-13-7-21-54(30)39(63)25(43)11-6-20-49-41(47)48)40(64)55-22-8-14-31(55)37(61)51-27(16-18-33(45)57)35(59)50-26(15-17-32(44)56)36(60)53-29(34(46)58)23-24-9-2-1-3-10-24/h1-3,9-10,25-31H,4-8,11-23,42-43H2,(H2,44,56)(H2,45,57)(H2,46,58)(H,50,59)(H,51,61)(H,52,62)(H,53,60)(H4,47,48,49)/t25-,26-,27-,28-,29-,30-,31-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to substance P receptor (1 to 7 amino acids) binding site in rat spinal cord membranes


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50188489
PNG
((S)-2-Amino-N-((S)-1-carbamoyl-2-phenyl-ethyl)-3-p...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)18(23)21-16(17(20)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H2,20,22)(H,21,23)/t15-,16-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50308381
PNG
(CHEMBL589979 | H-Arg-Pro-Lys-Pro-Gln-Gln-Phe-OH)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C41H65N13O10/c42-19-5-4-12-28(51-37(60)30-13-7-21-53(30)38(61)25(43)11-6-20-48-41(46)47)39(62)54-22-8-14-31(54)36(59)50-27(16-18-33(45)56)34(57)49-26(15-17-32(44)55)35(58)52-29(40(63)64)23-24-9-2-1-3-10-24/h1-3,9-10,25-31H,4-8,11-23,42-43H2,(H2,44,55)(H2,45,56)(H,49,57)(H,50,59)(H,51,60)(H,52,58)(H,63,64)(H4,46,47,48)/t25-,26-,27-,28-,29-,30-,31-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50308381
PNG
(CHEMBL589979 | H-Arg-Pro-Lys-Pro-Gln-Gln-Phe-OH)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C41H65N13O10/c42-19-5-4-12-28(51-37(60)30-13-7-21-53(30)38(61)25(43)11-6-20-48-41(46)47)39(62)54-22-8-14-31(54)36(59)50-27(16-18-33(45)56)34(57)49-26(15-17-32(44)55)35(58)52-29(40(63)64)23-24-9-2-1-3-10-24/h1-3,9-10,25-31H,4-8,11-23,42-43H2,(H2,44,55)(H2,45,56)(H,49,57)(H,50,59)(H,51,60)(H,52,58)(H,63,64)(H4,46,47,48)/t25-,26-,27-,28-,29-,30-,31-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to substance P receptor (1 to 7 amino acids) binding site in rat spinal cord membranes


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50436553
PNG
(CHEMBL2396664)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]([C@H]1C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O2/c21-17(13-14-7-3-1-4-8-14)20(25)23-12-11-16(18(23)19(22)24)15-9-5-2-6-10-15/h1-10,16-18H,11-13,21H2,(H2,22,24)/t16-,17-,18-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding site in Sprague-Dawley rat spinal cord membranes after 60 mins by li...


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50436547
PNG
(CHEMBL2397494)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc(F)c1)C(N)=O |r|
Show InChI InChI=1S/C18H20FN3O2/c19-14-8-4-7-13(9-14)11-16(17(21)23)22-18(24)15(20)10-12-5-2-1-3-6-12/h1-9,15-16H,10-11,20H2,(H2,21,23)(H,22,24)/t15-,16-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding site in Sprague-Dawley rat spinal cord membranes after 60 mins by li...


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50436549
PNG
(CHEMBL2397492)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C19H23N3O2/c20-16(13-15-9-5-2-6-10-15)19(24)22-17(18(21)23)12-11-14-7-3-1-4-8-14/h1-10,16-17H,11-13,20H2,(H2,21,23)(H,22,24)/t16-,17-/m0/s1
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6.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding site in Sprague-Dawley rat spinal cord membranes after 60 mins by li...


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50188489
PNG
((S)-2-Amino-N-((S)-1-carbamoyl-2-phenyl-ethyl)-3-p...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)18(23)21-16(17(20)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H2,20,22)(H,21,23)/t15-,16-/m0/s1
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8.40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding site in Sprague-Dawley rat spinal cord membranes after 60 mins by li...


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair
Substance-P 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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8.70n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50436558
PNG
(CHEMBL2397484)
Show SMILES CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@@H](N)Cc1ccccc1 |r|
Show InChI InChI=1S/C19H23N3O2/c1-22(17(18(21)23)13-15-10-6-3-7-11-15)19(24)16(20)12-14-8-4-2-5-9-14/h2-11,16-17H,12-13,20H2,1H3,(H2,21,23)/t16-,17-/m0/s1
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9.40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding site in Sprague-Dawley rat spinal cord membranes after 60 mins by li...


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50209313
PNG
((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C26H33N5O5/c1-16(24(34)30-21(23(28)33)15-17-6-3-2-4-7-17)29-25(35)22-8-5-13-31(22)26(36)20(27)14-18-9-11-19(32)12-10-18/h2-4,6-7,9-12,16,20-22,32H,5,8,13-15,27H2,1H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,20-,21-,22-/m0/s1
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9.40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50308383
PNG
(1N-[1-[1-[1-carbamoyl-2-phenyl-(1S)-ethylcarbamoyl...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C30H35N5O5/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/h2-15,19,24-26,36H,16-18,31H2,1H3,(H2,32,37)(H,33,39)(H,34,40)(H,35,38)/t19-,24-,25-,26-/m0/s1
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10.2n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50308392
PNG
(CHEMBL590518 | H-Leu-Phe-NH2)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C15H23N3O2/c1-10(2)8-12(16)15(20)18-13(14(17)19)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H2,17,19)(H,18,20)/t12-,13-/m0/s1
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10.2n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50308385
PNG
(CHEMBL591489 | H-Pro-Phe-Phe-NH2)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C23H28N4O3/c24-21(28)19(14-16-8-3-1-4-9-16)26-23(30)20(15-17-10-5-2-6-11-17)27-22(29)18-12-7-13-25-18/h1-6,8-11,18-20,25H,7,12-15H2,(H2,24,28)(H,26,30)(H,27,29)/t18-,19-,20-/m0/s1
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10.9n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50308382
PNG
(CHEMBL589082 | H-Ala-Pro-Phe-Phe-NH2)
Show SMILES C[C@@H](N)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/C26H33N5O4/c1-17(27)26(35)31-14-8-13-22(31)25(34)30-21(16-19-11-6-3-7-12-19)24(33)29-20(23(28)32)15-18-9-4-2-5-10-18/h2-7,9-12,17,20-22H,8,13-16,27H2,1H3,(H2,28,32)(H,29,33)(H,30,34)/t17-,20+,21+,22+/m1/s1
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11.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50436548
PNG
(CHEMBL2397493)
Show SMILES Cc1ccccc1C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C19H23N3O2/c1-13-7-5-6-10-15(13)12-17(18(21)23)22-19(24)16(20)11-14-8-3-2-4-9-14/h2-10,16-17H,11-12,20H2,1H3,(H2,21,23)(H,22,24)/t16-,17-/m0/s1
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12n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding site in Sprague-Dawley rat spinal cord membranes after 60 mins by li...


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50436551
PNG
(CHEMBL2397490)
Show SMILES C[C@H]([C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H23N3O2/c1-13(15-10-6-3-7-11-15)17(18(21)23)22-19(24)16(20)12-14-8-4-2-5-9-14/h2-11,13,16-17H,12,20H2,1H3,(H2,21,23)(H,22,24)/t13-,16-,17-/m0/s1
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18n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding site in Sprague-Dawley rat spinal cord membranes after 60 mins by li...


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50308387
PNG
(Ac-(Phe)2-CONH2 | Ac-Phe-Phe-NH2 | CHEMBL464178)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C20H23N3O3/c1-14(24)22-18(13-16-10-6-3-7-11-16)20(26)23-17(19(21)25)12-15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3,(H2,21,25)(H,22,24)(H,23,26)/t17-,18-/m0/s1
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18.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50436557
PNG
(CHEMBL2397485)
Show SMILES C[C@@](Cc1ccccc1)(NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C19H23N3O2/c1-19(18(21)24,13-15-10-6-3-7-11-15)22-17(23)16(20)12-14-8-4-2-5-9-14/h2-11,16H,12-13,20H2,1H3,(H2,21,24)(H,22,23)/t16-,19-/m0/s1
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26n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding site in Sprague-Dawley rat spinal cord membranes after 60 mins by li...


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50308384
PNG
(CHEMBL589982 | H-Tyr-Pro-Phe-Phe-OH)
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(O)=O |r|
Show InChI InChI=1S/C32H36N4O6/c33-25(18-23-13-15-24(37)16-14-23)31(40)36-17-7-12-28(36)30(39)34-26(19-21-8-3-1-4-9-21)29(38)35-27(32(41)42)20-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-28,37H,7,12,17-20,33H2,(H,34,39)(H,35,38)(H,41,42)/t25-,26-,27-,28-/m0/s1
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30.2n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50436555
PNG
(CHEMBL2397487)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1NCC[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O2/c21-19(24)17(13-14-7-3-1-4-8-14)23-20(25)18-16(11-12-22-18)15-9-5-2-6-10-15/h1-10,16-18,22H,11-13H2,(H2,21,24)(H,23,25)/t16-,17-,18-/m0/s1
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34n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding site in Sprague-Dawley rat spinal cord membranes after 60 mins by li...


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50436554
PNG
(CHEMBL2397488)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1NCC[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O2/c21-19(24)17(13-14-7-3-1-4-8-14)23-20(25)18-16(11-12-22-18)15-9-5-2-6-10-15/h1-10,16-18,22H,11-13H2,(H2,21,24)(H,23,25)/t16-,17+,18-/m1/s1
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51n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding site in Sprague-Dawley rat spinal cord membranes after 60 mins by li...


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50308389
PNG
((D)-Phe-(D)-Phe-NH2 | CHEMBL590276)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)18(23)21-16(17(20)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H2,20,22)(H,21,23)/t15-,16-/m1/s1
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64n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50436550
PNG
(CHEMBL2397491)
Show SMILES C[C@@H]([C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H23N3O2/c1-13(15-10-6-3-7-11-15)17(18(21)23)22-19(24)16(20)12-14-8-4-2-5-9-14/h2-11,13,16-17H,12,20H2,1H3,(H2,21,23)(H,22,24)/t13-,16+,17-/m1/s1
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68n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding site in Sprague-Dawley rat spinal cord membranes after 60 mins by li...


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50436559
PNG
(CHEMBL2397483)
Show SMILES C[C@](N)(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C19H23N3O2/c1-19(21,13-15-10-6-3-7-11-15)18(24)22-16(17(20)23)12-14-8-4-2-5-9-14/h2-11,16H,12-13,21H2,1H3,(H2,20,23)(H,22,24)/t16-,19-/m0/s1
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70n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding site in Sprague-Dawley rat spinal cord membranes after 60 mins by li...


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50436552
PNG
(CHEMBL2397489)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]([C@@H]1C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O2/c21-17(13-14-7-3-1-4-8-14)20(25)23-12-11-16(18(23)19(22)24)15-9-5-2-6-10-15/h1-10,16-18H,11-13,21H2,(H2,22,24)/t16-,17+,18-/m1/s1
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93n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding site in Sprague-Dawley rat spinal cord membranes after 60 mins by li...


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50436556
PNG
(CHEMBL2397486)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1 |r|
Show InChI InChI=1S/C19H23N3O2/c1-21-19(24)17(13-15-10-6-3-7-11-15)22-18(23)16(20)12-14-8-4-2-5-9-14/h2-11,16-17H,12-13,20H2,1H3,(H,21,24)(H,22,23)/t16-,17-/m0/s1
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136n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding site in Sprague-Dawley rat spinal cord membranes after 60 mins by li...


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50308390
PNG
((D)-Phe-(L)-Phe-NH2 | CHEMBL592133)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)18(23)21-16(17(20)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H2,20,22)(H,21,23)/t15-,16+/m1/s1
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175n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50308397
PNG
((S)-2-((R)-2-amino-2-phenylacetamido)-3-phenylprop...)
Show SMILES N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H19N3O2/c18-15(13-9-5-2-6-10-13)17(22)20-14(16(19)21)11-12-7-3-1-4-8-12/h1-10,14-15H,11,18H2,(H2,19,21)(H,20,22)/t14-,15+/m0/s1
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182n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50436560
PNG
(CHEMBL2397482)
Show SMILES CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C19H23N3O2/c1-21-17(13-15-10-6-3-7-11-15)19(24)22-16(18(20)23)12-14-8-4-2-5-9-14/h2-11,16-17,21H,12-13H2,1H3,(H2,20,23)(H,22,24)/t16-,17-/m0/s1
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189n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding site in Sprague-Dawley rat spinal cord membranes after 60 mins by li...


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50308394
PNG
((S)-2-amino-N-((S)-1-amino-1-oxo-3-(thiophen-2-yl)...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccs1)C(N)=O |r|
Show InChI InChI=1S/C16H19N3O2S/c17-13(9-11-5-2-1-3-6-11)16(21)19-14(15(18)20)10-12-7-4-8-22-12/h1-8,13-14H,9-10,17H2,(H2,18,20)(H,19,21)/t13-,14-/m0/s1
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251n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50308388
PNG
((L)-Phe-(D)-Phe-NH2 | CHEMBL590275)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)18(23)21-16(17(20)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H2,20,22)(H,21,23)/t15-,16+/m0/s1
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540n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50209300
PNG
((S)-N-((S)-1-((S)-1-amino-1-oxopropan-2-ylamino)-1...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C26H33N5O5/c1-16(23(28)33)29-24(34)21(15-17-6-3-2-4-7-17)30-25(35)22-8-5-13-31(22)26(36)20(27)14-18-9-11-19(32)12-10-18/h2-4,6-7,9-12,16,20-22,32H,5,8,13-15,27H2,1H3,(H2,28,33)(H,29,34)(H,30,35)/t16-,20-,21-,22-/m0/s1
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1.46E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50308396
PNG
((S)-2-((S)-2-amino-2-phenylacetamido)-3-phenylprop...)
Show SMILES N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H19N3O2/c18-15(13-9-5-2-6-10-13)17(22)20-14(16(19)21)11-12-7-3-1-4-8-12/h1-10,14-15H,11,18H2,(H2,19,21)(H,20,22)/t14-,15-/m0/s1
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2.25E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50308386
PNG
(2-Amino-3-phenyl-propionamide | CHEMBL350320 | H-P...)
Show SMILES N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1
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5.03E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50308393
PNG
(CHEMBL589543 | H-Tyr(OMe)-Phe(2-Me)-NH2)
Show SMILES COc1ccc(C[C@H](N)C(=O)N[C@@H](Cc2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C20H25N3O3/c1-13-5-3-4-6-15(13)12-18(19(22)24)23-20(25)17(21)11-14-7-9-16(26-2)10-8-14/h3-10,17-18H,11-12,21H2,1-2H3,(H2,22,24)(H,23,25)/t17-,18-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50308395
PNG
((S)-2-amino-N-((S)-1-amino-3-(3-fluorophenyl)-1-ox...)
Show SMILES N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1cccc(F)c1)C(N)=O |r|
Show InChI InChI=1S/C18H26FN3O2/c19-14-8-4-7-13(9-14)11-16(17(21)23)22-18(24)15(20)10-12-5-2-1-3-6-12/h4,7-9,12,15-16H,1-3,5-6,10-11,20H2,(H2,21,23)(H,22,24)/t15-,16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50169134
PNG
((S)-2-((S)-2-Amino-3-phenyl-propionylamino)-3-phen...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)/t15-,16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50308391
PNG
((S)-2-amino-N-((S)-2-amino-2-oxo-1-phenylethyl)-3-...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H19N3O2/c18-14(11-12-7-3-1-4-8-12)17(22)20-15(16(19)21)13-9-5-2-6-10-13/h1-10,14-15H,11,18H2,(H2,19,21)(H,20,22)/t14-,15-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane


J Med Chem 53: 2383-9 (2010)


Article DOI: 10.1021/jm901352b
BindingDB Entry DOI: 10.7270/Q2542NQK
More data for this
Ligand-Target Pair