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Compile Data Set for Download or QSAR

Found 154 hits with Last Name = 'moseley' and Initial = 'j'   
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
Substance-P receptor


(Homo sapiens (Human))
BDBM50117522
PNG
((5S,6R,9S)-5-(4-Fluoro-phenyl)-9-(2-trifluoromethy...)
Show SMILES Fc1ccc(cc1)[C@@H]1NCCOC11CC[C@H](CO1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H21F4NO2/c22-16-7-5-14(6-8-16)19-20(27-12-11-26-19)10-9-15(13-28-20)17-3-1-2-4-18(17)21(23,24)25/h1-8,15,19,26H,9-13H2/t15-,19+,20?/m1/s1
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28n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound to human Tachykinin receptor 1


Bioorg Med Chem Lett 12: 2515-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00506-1
BindingDB Entry DOI: 10.7270/Q27P8XQ9
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50117508
PNG
((5S,6R,9R)-5-(4-Fluoro-phenyl)-9-(2-trifluoromethy...)
Show SMILES Fc1ccc(cc1)[C@@H]1NCCOC11CC[C@@H](CO1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H21F4NO2/c22-16-7-5-14(6-8-16)19-20(27-12-11-26-19)10-9-15(13-28-20)17-3-1-2-4-18(17)21(23,24)25/h1-8,15,19,26H,9-13H2/t15-,19-,20?/m0/s1
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400n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound to human Tachykinin receptor 1


Bioorg Med Chem Lett 12: 2515-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00506-1
BindingDB Entry DOI: 10.7270/Q27P8XQ9
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50117523
PNG
(5-{(5S,10S)-5-(4-Fluoro-phenyl)-10-[2-methoxy-5-(5...)
Show SMILES COc1ccc(cc1[C@H]1COCC2(C1)OCCN(Cc1n[nH]c(=O)[nH]1)[C@H]2c1ccc(F)cc1)-n1nnnc1C(F)(F)F
Show InChI InChI=1S/C26H26F4N8O4/c1-40-20-7-6-18(38-23(26(28,29)30)33-35-36-38)10-19(20)16-11-25(14-41-13-16)22(15-2-4-17(27)5-3-15)37(8-9-42-25)12-21-31-24(39)34-32-21/h2-7,10,16,22H,8-9,11-14H2,1H3,(H2,31,32,34,39)/t16-,22+,25?/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 2515-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00506-1
BindingDB Entry DOI: 10.7270/Q27P8XQ9
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50117509
PNG
((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-[2-methoxy-5-(5...)
Show SMILES COc1ccc(cc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1)-n1nnnc1C(F)(F)F
Show InChI InChI=1S/C23H23F4N5O3/c1-33-19-7-6-17(32-21(23(25,26)27)29-30-31-32)10-18(19)15-11-22(13-34-12-15)20(28-8-9-35-22)14-2-4-16(24)5-3-14/h2-7,10,15,20,28H,8-9,11-13H2,1H3/t15-,20+,22?/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 2515-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00506-1
BindingDB Entry DOI: 10.7270/Q27P8XQ9
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069650
PNG
(5-({[(S)-2-(3-tert-Butyl-5-methyl-benzyloxy)-1-phe...)
Show SMILES CN(Cc1n[nH]c(=O)[nH]1)[C@H](COCc1cc(C)cc(c1)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C24H32N4O2/c1-17-11-18(13-20(12-17)24(2,3)4)15-30-16-21(19-9-7-6-8-10-19)28(5)14-22-25-23(29)27-26-22/h6-13,21H,14-16H2,1-5H3,(H2,25,26,27,29)/t21-/m1/s1
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n/an/a 0.420n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 8: 51-6 (1999)


Article DOI: 10.1016/s0960-894x(97)10163-9
BindingDB Entry DOI: 10.7270/Q2Q23ZCG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069642
PNG
(5-({[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-p...)
Show SMILES CN(Cc1n[nH]c(=O)[nH]1)[C@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C21H20F6N4O2/c1-31(10-18-28-19(32)30-29-18)17(14-5-3-2-4-6-14)12-33-11-13-7-15(20(22,23)24)9-16(8-13)21(25,26)27/h2-9,17H,10-12H2,1H3,(H2,28,29,30,32)/t17-/m1/s1
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n/an/a 0.430n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 8: 51-6 (1999)


Article DOI: 10.1016/s0960-894x(97)10163-9
BindingDB Entry DOI: 10.7270/Q2Q23ZCG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50117515
PNG
(5-[(3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(2-methoxy-p...)
Show SMILES COc1ccccc1[C@H]1COCC2(C1)OCCN(Cc1n[nH]c(=O)[nH]1)[C@H]2c1ccc(F)cc1
Show InChI InChI=1S/C24H27FN4O4/c1-31-20-5-3-2-4-19(20)17-12-24(15-32-14-17)22(16-6-8-18(25)9-7-16)29(10-11-33-24)13-21-26-23(30)28-27-21/h2-9,17,22H,10-15H2,1H3,(H2,26,27,28,30)/t17-,22+,24?/m1/s1
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n/an/a 0.560n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 2515-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00506-1
BindingDB Entry DOI: 10.7270/Q27P8XQ9
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50452955
PNG
(CHEMBL36271)
Show SMILES [I-].Cn1cc(-c2noc(C[N+](C)(C)C)n2)c2ccccc12
Show InChI InChI=1S/C15H19N4O.HI/c1-18-9-12(11-7-5-6-8-13(11)18)15-16-14(20-17-15)10-19(2,3)4;/h5-9H,10H2,1-4H3;1H/q+1;/p-1
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n/an/a 0.708n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes.


J Med Chem 34: 140-51 (1991)


Article DOI: 10.1021/jm00105a021
BindingDB Entry DOI: 10.7270/Q2DV1MD5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069659
PNG
(5-({[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-p...)
Show SMILES CCN(Cc1n[nH]c(=O)[nH]1)[C@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C22H22F6N4O2/c1-2-32(11-19-29-20(33)31-30-19)18(15-6-4-3-5-7-15)13-34-12-14-8-16(21(23,24)25)10-17(9-14)22(26,27)28/h3-10,18H,2,11-13H2,1H3,(H2,29,30,31,33)/t18-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 8: 51-6 (1999)


Article DOI: 10.1016/s0960-894x(97)10163-9
BindingDB Entry DOI: 10.7270/Q2Q23ZCG
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50452944
PNG
(CHEMBL37444)
Show SMILES Cn1cc(-c2noc(n2)C2CN3CCC2C3)c2ccccc12
Show InChI InChI=1/C17H18N4O/c1-20-9-14(12-4-2-3-5-15(12)20)16-18-17(22-19-16)13-10-21-7-6-11(13)8-21/h2-5,9,11,13H,6-8,10H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes.


J Med Chem 34: 140-51 (1991)


Article DOI: 10.1021/jm00105a021
BindingDB Entry DOI: 10.7270/Q2DV1MD5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50117510
PNG
(CHEMBL84881 | {5-[5-(4-Fluoro-phenyl)-9-(2-trifluo...)
Show SMILES CN(C)Cc1nn[nH]c1CN1CCOC2(CCC(CO2)c2ccccc2C(F)(F)F)C1c1ccc(F)cc1
Show InChI InChI=1/C27H31F4N5O2/c1-35(2)15-23-24(33-34-32-23)16-36-13-14-37-26(25(36)18-7-9-20(28)10-8-18)12-11-19(17-38-26)21-5-3-4-6-22(21)27(29,30)31/h3-10,19,25H,11-17H2,1-2H3,(H,32,33,34)
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n/an/a 1.10n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 2515-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00506-1
BindingDB Entry DOI: 10.7270/Q27P8XQ9
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455940
PNG
(CHEMBL8250)
Show SMILES Cn1cc(C2=NCC3(CCN4CCCC3C4)O2)c2ccccc12
Show InChI InChI=1/C19H23N3O/c1-21-12-16(15-6-2-3-7-17(15)21)18-20-13-19(23-18)8-10-22-9-4-5-14(19)11-22/h2-3,6-7,12,14H,4-5,8-11,13H2,1H3
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n/an/a 1.10n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of [3H]Q-ICS-205-930 from 5-HT3 recognition sites in rat brain membranes


J Med Chem 35: 1019-31 (1992)


Article DOI: 10.1021/jm00084a007
BindingDB Entry DOI: 10.7270/Q2833THX
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50108392
PNG
((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
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n/an/a 1.30n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes


J Med Chem 35: 1019-31 (1992)


Article DOI: 10.1021/jm00084a007
BindingDB Entry DOI: 10.7270/Q2833THX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Substance-P receptor


(Homo sapiens (Human))
BDBM50117516
PNG
((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(2-methoxy-5-tr...)
Show SMILES COc1ccc(cc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C22H23F4NO3/c1-28-19-7-4-16(22(24,25)26)10-18(19)15-11-21(13-29-12-15)20(27-8-9-30-21)14-2-5-17(23)6-3-14/h2-7,10,15,20,27H,8-9,11-13H2,1H3/t15-,20+,21?/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 2515-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00506-1
BindingDB Entry DOI: 10.7270/Q27P8XQ9
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50062446
PNG
(3-[3-(1-Methyl-1H-indol-3-yl)-[1,2,4]oxadiazol-5-y...)
Show SMILES Cn1cc(-c2noc(n2)C2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1/C18H20N4O/c1-21-10-15(13-4-2-3-5-16(13)21)17-19-18(23-20-17)14-11-22-8-6-12(14)7-9-22/h2-5,10,12,14H,6-9,11H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes.


J Med Chem 34: 140-51 (1991)


Article DOI: 10.1021/jm00105a021
BindingDB Entry DOI: 10.7270/Q2DV1MD5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50117521
PNG
(CHEMBL85626 | {5-[5-(4-Fluoro-phenyl)-9-(2-trifluo...)
Show SMILES CN(C)Cc1nn[nH]c1CN1CCOC2(CCC(CO2)c2ccccc2OC(F)(F)F)C1c1ccc(F)cc1
Show InChI InChI=1/C27H31F4N5O3/c1-35(2)15-22-23(33-34-32-22)16-36-13-14-37-26(25(36)18-7-9-20(28)10-8-18)12-11-19(17-38-26)21-5-3-4-6-24(21)39-27(29,30)31/h3-10,19,25H,11-17H2,1-2H3,(H,32,33,34)
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n/an/a 1.40n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 2515-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00506-1
BindingDB Entry DOI: 10.7270/Q27P8XQ9
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069647
PNG
(CHEMBL152742 | [(S)-2-(3,5-Bis-trifluoromethyl-ben...)
Show SMILES CN(Cc1nnc[nH]1)[C@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C21H20F6N4O/c1-31(10-19-28-13-29-30-19)18(15-5-3-2-4-6-15)12-32-11-14-7-16(20(22,23)24)9-17(8-14)21(25,26)27/h2-9,13,18H,10-12H2,1H3,(H,28,29,30)/t18-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 8: 51-6 (1999)


Article DOI: 10.1016/s0960-894x(97)10163-9
BindingDB Entry DOI: 10.7270/Q2Q23ZCG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069656
PNG
(5-({[(S)-2-(3,5-Dichloro-benzyloxy)-1-phenyl-ethyl...)
Show SMILES CN(Cc1n[nH]c(=O)[nH]1)[C@H](COCc1cc(Cl)cc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C19H20Cl2N4O2/c1-25(10-18-22-19(26)24-23-18)17(14-5-3-2-4-6-14)12-27-11-13-7-15(20)9-16(21)8-13/h2-9,17H,10-12H2,1H3,(H2,22,23,24,26)/t17-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 8: 51-6 (1999)


Article DOI: 10.1016/s0960-894x(97)10163-9
BindingDB Entry DOI: 10.7270/Q2Q23ZCG
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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n/an/a 1.90n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes


J Med Chem 35: 1019-31 (1992)


Article DOI: 10.1021/jm00084a007
BindingDB Entry DOI: 10.7270/Q2833THX
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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n/an/a 1.90n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes.


J Med Chem 34: 140-51 (1991)


Article DOI: 10.1021/jm00105a021
BindingDB Entry DOI: 10.7270/Q2DV1MD5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069646
PNG
(5-({[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-p...)
Show SMILES CCCN(Cc1n[nH]c(=O)[nH]1)[C@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C23H24F6N4O2/c1-2-8-33(12-20-30-21(34)32-31-20)19(16-6-4-3-5-7-16)14-35-13-15-9-17(22(24,25)26)11-18(10-15)23(27,28)29/h3-7,9-11,19H,2,8,12-14H2,1H3,(H2,30,31,32,34)/t19-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 8: 51-6 (1999)


Article DOI: 10.1016/s0960-894x(97)10163-9
BindingDB Entry DOI: 10.7270/Q2Q23ZCG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069658
PNG
(5-({[(S)-2-(3-Chloro-5-methyl-benzyloxy)-1-phenyl-...)
Show SMILES CN(Cc1n[nH]c(=O)[nH]1)[C@H](COCc1cc(C)cc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C20H23ClN4O2/c1-14-8-15(10-17(21)9-14)12-27-13-18(16-6-4-3-5-7-16)25(2)11-19-22-20(26)24-23-19/h3-10,18H,11-13H2,1-2H3,(H2,22,23,24,26)/t18-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 8: 51-6 (1999)


Article DOI: 10.1016/s0960-894x(97)10163-9
BindingDB Entry DOI: 10.7270/Q2Q23ZCG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069643
PNG
(5-{[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-ph...)
Show SMILES FC(F)(F)c1cc(COC[C@@H](NCc2n[nH]c(=O)[nH]2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C20H18F6N4O2/c21-19(22,23)14-6-12(7-15(8-14)20(24,25)26)10-32-11-16(13-4-2-1-3-5-13)27-9-17-28-18(31)30-29-17/h1-8,16,27H,9-11H2,(H2,28,29,30,31)/t16-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 8: 51-6 (1999)


Article DOI: 10.1016/s0960-894x(97)10163-9
BindingDB Entry DOI: 10.7270/Q2Q23ZCG
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455933
PNG
(CHEMBL1169549)
Show SMILES Cn1cc(C2=NC[C@@]3(CN4CCC3CC4)O2)c2ccccc12
Show InChI InChI=1/C18H21N3O/c1-20-10-15(14-4-2-3-5-16(14)20)17-19-11-18(22-17)12-21-8-6-13(18)7-9-21/h2-5,10,13H,6-9,11-12H2,1H3/t18-/s2
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n/an/a 2.60n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of [3H]Q-ICS-205-930 from 5-HT3 recognition sites in rat brain membranes


J Med Chem 35: 1019-31 (1992)


Article DOI: 10.1021/jm00084a007
BindingDB Entry DOI: 10.7270/Q2833THX
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50452961
PNG
(CHEMBL37802)
Show SMILES C1CN2CCC1C(C2)c1nc(no1)-c1c[nH]c2ccccc12
Show InChI InChI=1/C17H18N4O/c1-2-4-15-12(3-1)13(9-18-15)16-19-17(22-20-16)14-10-21-7-5-11(14)6-8-21/h1-4,9,11,14,18H,5-8,10H2
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n/an/a 2.70n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes.


J Med Chem 34: 140-51 (1991)


Article DOI: 10.1021/jm00105a021
BindingDB Entry DOI: 10.7270/Q2DV1MD5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50117514
PNG
((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(5-isopropyl-2-...)
Show SMILES COc1ccc(cc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1)C(C)C
Show InChI InChI=1S/C24H30FNO3/c1-16(2)18-6-9-22(27-3)21(12-18)19-13-24(15-28-14-19)23(26-10-11-29-24)17-4-7-20(25)8-5-17/h4-9,12,16,19,23,26H,10-11,13-15H2,1-3H3/t19-,23+,24?/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 2515-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00506-1
BindingDB Entry DOI: 10.7270/Q27P8XQ9
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455913
PNG
(CHEMBL1169545)
Show SMILES Cn1cc(C2=NC[C@]3(CN4CCC3CC4)O2)c2ccccc12
Show InChI InChI=1/C18H21N3O/c1-20-10-15(14-4-2-3-5-16(14)20)17-19-11-18(22-17)12-21-8-6-13(18)7-9-21/h2-5,10,13H,6-9,11-12H2,1H3/t18-/s2
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n/an/a 2.90n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes


J Med Chem 35: 1019-31 (1992)


Article DOI: 10.1021/jm00084a007
BindingDB Entry DOI: 10.7270/Q2833THX
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455942
PNG
(CHEMBL7788)
Show SMILES Cn1cc(C2=NC[C@]3(C[N@]4CC[C@@H]3C4)O2)c2ccccc12
Show InChI InChI=1S/C17H19N3O/c1-19-9-14(13-4-2-3-5-15(13)19)16-18-10-17(21-16)11-20-7-6-12(17)8-20/h2-5,9,12H,6-8,10-11H2,1H3/t12-,17-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes


J Med Chem 35: 1019-31 (1992)


Article DOI: 10.1021/jm00084a007
BindingDB Entry DOI: 10.7270/Q2833THX
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455920
PNG
(CHEMBL1169546)
Show SMILES Cl.Cl.Cn1cc(C2=NCC3(CN4CCC3CC4)O2)c2ccccc12
Show InChI InChI=1/C18H21N3O.2ClH/c1-20-10-15(14-4-2-3-5-16(14)20)17-19-11-18(22-17)12-21-8-6-13(18)7-9-21;;/h2-5,10,13H,6-9,11-12H2,1H3;2*1H
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n/an/a 3.20n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes


J Med Chem 35: 1019-31 (1992)


Article DOI: 10.1021/jm00084a007
BindingDB Entry DOI: 10.7270/Q2833THX
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455932
PNG
(CHEMBL8421)
Show SMILES [I-].Cn1cc(C2=NCC3(CC4CCC(C3)[N+]4(C)C)O2)c2ccccc12
Show InChI InChI=1/C20H26N3O.HI/c1-22-12-17(16-6-4-5-7-18(16)22)19-21-13-20(24-19)10-14-8-9-15(11-20)23(14,2)3;/h4-7,12,14-15H,8-11,13H2,1-3H3;1H/q+1;/p-1
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n/an/a 3.30n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes


J Med Chem 35: 1019-31 (1992)


Article DOI: 10.1021/jm00084a007
BindingDB Entry DOI: 10.7270/Q2833THX
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455924
PNG
(CHEMBL276728)
Show SMILES Cn1cc(C2=NC[C@@]3(C[N@]4CC[C@@H]3C4)O2)c2ccccc12
Show InChI InChI=1S/C17H19N3O/c1-19-9-14(13-4-2-3-5-15(13)19)16-18-10-17(21-16)11-20-7-6-12(17)8-20/h2-5,9,12H,6-8,10-11H2,1H3/t12-,17+/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes


J Med Chem 35: 1019-31 (1992)


Article DOI: 10.1021/jm00084a007
BindingDB Entry DOI: 10.7270/Q2833THX
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50452953
PNG
(CHEMBL284101)
Show SMILES Cn1cc(-c2noc(n2)C23CCN(CC2)CC3)c2ccccc12
Show InChI InChI=1S/C18H20N4O/c1-21-12-14(13-4-2-3-5-15(13)21)16-19-17(23-20-16)18-6-9-22(10-7-18)11-8-18/h2-5,12H,6-11H2,1H3
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n/an/a 4.30n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes.


J Med Chem 34: 140-51 (1991)


Article DOI: 10.1021/jm00105a021
BindingDB Entry DOI: 10.7270/Q2DV1MD5
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455918
PNG
(CHEMBL8413)
Show SMILES CN1C2CCC1CC1(CN=C(O1)c1cn(C)c3ccccc13)C2
Show InChI InChI=1/C19H23N3O/c1-21-11-16(15-5-3-4-6-17(15)21)18-20-12-19(23-18)9-13-7-8-14(10-19)22(13)2/h3-6,11,13-14H,7-10,12H2,1-2H3
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n/an/a 4.60n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes


J Med Chem 35: 1019-31 (1992)


Article DOI: 10.1021/jm00084a007
BindingDB Entry DOI: 10.7270/Q2833THX
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455939
PNG
(CHEMBL8615)
Show SMILES C1N=C(OC11CN2CCC1CC2)c1c[nH]c2ccccc12
Show InChI InChI=1/C17H19N3O/c1-2-4-15-13(3-1)14(9-18-15)16-19-10-17(21-16)11-20-7-5-12(17)6-8-20/h1-4,9,12,18H,5-8,10-11H2
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n/an/a 4.80n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes


J Med Chem 35: 1019-31 (1992)


Article DOI: 10.1021/jm00084a007
BindingDB Entry DOI: 10.7270/Q2833THX
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455932
PNG
(CHEMBL8421)
Show SMILES [I-].Cn1cc(C2=NCC3(CC4CCC(C3)[N+]4(C)C)O2)c2ccccc12
Show InChI InChI=1/C20H26N3O.HI/c1-22-12-17(16-6-4-5-7-18(16)22)19-21-13-20(24-19)10-14-8-9-15(11-20)23(14,2)3;/h4-7,12,14-15H,8-11,13H2,1-3H3;1H/q+1;/p-1
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n/an/a 5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of [3H]Q-ICS-205-930 from 5-HT3 recognition sites in rat brain membranes


J Med Chem 35: 1019-31 (1992)


Article DOI: 10.1021/jm00084a007
BindingDB Entry DOI: 10.7270/Q2833THX
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069649
PNG
(CHEMBL358409 | [(S)-2-(3,5-Bis-trifluoromethyl-ben...)
Show SMILES FC(F)(F)c1cc(COC[C@@H](NCc2nnc[nH]2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C20H18F6N4O/c21-19(22,23)15-6-13(7-16(8-15)20(24,25)26)10-31-11-17(14-4-2-1-3-5-14)27-9-18-28-12-29-30-18/h1-8,12,17,27H,9-11H2,(H,28,29,30)/t17-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 8: 51-6 (1999)


Article DOI: 10.1016/s0960-894x(97)10163-9
BindingDB Entry DOI: 10.7270/Q2Q23ZCG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069657
PNG
(2-{[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-ph...)
Show SMILES CN(CC(N)=O)[C@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C20H20F6N2O2/c1-28(10-18(27)29)17(14-5-3-2-4-6-14)12-30-11-13-7-15(19(21,22)23)9-16(8-13)20(24,25)26/h2-9,17H,10-12H2,1H3,(H2,27,29)/t17-/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 8: 51-6 (1999)


Article DOI: 10.1016/s0960-894x(97)10163-9
BindingDB Entry DOI: 10.7270/Q2Q23ZCG
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455915
PNG
(CHEMBL266097)
Show SMILES C#CCn1cc(C2=NCC3(CN4CCC3CC4)O2)c2ccccc12
Show InChI InChI=1/C20H21N3O/c1-2-9-23-12-17(16-5-3-4-6-18(16)23)19-21-13-20(24-19)14-22-10-7-15(20)8-11-22/h1,3-6,12,15H,7-11,13-14H2
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n/an/a 6.20n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes


J Med Chem 35: 1019-31 (1992)


Article DOI: 10.1021/jm00084a007
BindingDB Entry DOI: 10.7270/Q2833THX
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455918
PNG
(CHEMBL8413)
Show SMILES CN1C2CCC1CC1(CN=C(O1)c1cn(C)c3ccccc13)C2
Show InChI InChI=1/C19H23N3O/c1-21-11-16(15-5-3-4-6-17(15)21)18-20-12-19(23-18)9-13-7-8-14(10-19)22(13)2/h3-6,11,13-14H,7-10,12H2,1-2H3
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n/an/a 6.30n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes


J Med Chem 35: 1019-31 (1992)


Article DOI: 10.1021/jm00084a007
BindingDB Entry DOI: 10.7270/Q2833THX
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455914
PNG
(CHEMBL7615)
Show SMILES CC(=O)c1c(C2=NCC3(CN4CCC3CC4)O2)c2ccccc2n1C
Show InChI InChI=1/C20H23N3O2/c1-13(24)18-17(15-5-3-4-6-16(15)22(18)2)19-21-11-20(25-19)12-23-9-7-14(20)8-10-23/h3-6,14H,7-12H2,1-2H3
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n/an/a 6.5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes


J Med Chem 35: 1019-31 (1992)


Article DOI: 10.1021/jm00084a007
BindingDB Entry DOI: 10.7270/Q2833THX
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50452944
PNG
(CHEMBL37444)
Show SMILES Cn1cc(-c2noc(n2)C2CN3CCC2C3)c2ccccc12
Show InChI InChI=1/C17H18N4O/c1-20-9-14(12-4-2-3-5-15(12)20)16-18-17(22-19-16)13-10-21-7-6-11(13)8-21/h2-5,9,11,13H,6-8,10H2,1H3
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n/an/a 7.60n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes.


J Med Chem 34: 140-51 (1991)


Article DOI: 10.1021/jm00105a021
BindingDB Entry DOI: 10.7270/Q2DV1MD5
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455935
PNG
(CHEMBL417239)
Show SMILES C=CCn1cc(C2=NCC3(CN4CCC3CC4)O2)c2ccccc12
Show InChI InChI=1/C20H23N3O/c1-2-9-23-12-17(16-5-3-4-6-18(16)23)19-21-13-20(24-19)14-22-10-7-15(20)8-11-22/h2-6,12,15H,1,7-11,13-14H2
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n/an/a 7.90n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes


J Med Chem 35: 1019-31 (1992)


Article DOI: 10.1021/jm00084a007
BindingDB Entry DOI: 10.7270/Q2833THX
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069644
PNG
(2-[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phe...)
Show SMILES NC(=O)CN[C@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C19H18F6N2O2/c20-18(21,22)14-6-12(7-15(8-14)19(23,24)25)10-29-11-16(27-9-17(26)28)13-4-2-1-3-5-13/h1-8,16,27H,9-11H2,(H2,26,28)/t16-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 8: 51-6 (1999)


Article DOI: 10.1016/s0960-894x(97)10163-9
BindingDB Entry DOI: 10.7270/Q2Q23ZCG
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455922
PNG
(CHEMBL267298)
Show SMILES Cc1cccc2c(cn(C)c12)C1=NCC2(CN3CCC2CC3)O1
Show InChI InChI=1/C19H23N3O/c1-13-4-3-5-15-16(10-21(2)17(13)15)18-20-11-19(23-18)12-22-8-6-14(19)7-9-22/h3-5,10,14H,6-9,11-12H2,1-2H3
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n/an/a 8.90n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes


J Med Chem 35: 1019-31 (1992)


Article DOI: 10.1021/jm00084a007
BindingDB Entry DOI: 10.7270/Q2833THX
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50117511
PNG
((3S,5S,10S)-10-(5-Fluoro-2-methoxy-phenyl)-5-(4-fl...)
Show SMILES COc1ccc(F)cc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO3/c1-25-19-7-6-17(23)10-18(19)15-11-21(13-26-12-15)20(24-8-9-27-21)14-2-4-16(22)5-3-14/h2-7,10,15,20,24H,8-9,11-13H2,1H3/t15-,20+,21?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 2515-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00506-1
BindingDB Entry DOI: 10.7270/Q27P8XQ9
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50287337
PNG
(CHEMBL291025 | N-[2-(3,5-Bis-trifluoromethyl-pheny...)
Show SMILES CN(CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H23F6NO/c1-33(13-12-18-14-21(25(27,28)29)16-22(15-18)26(30,31)32)24(34)17-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14-16,23H,12-13,17H2,1H3
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for human NK1 receptor determined by displacement of [125I]- Substance P from human NK1 receptor in CHO cells


Bioorg Med Chem Lett 6: 1585-1588 (1996)


Article DOI: 10.1016/S0960-894X(96)00280-6
BindingDB Entry DOI: 10.7270/Q24X57RT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455926
PNG
(CHEMBL1169548)
Show SMILES [I-].Cn1cc(C2=NC[C@]3(C[N+]4(C)CCC3CC4)O2)c2ccccc12
Show InChI InChI=1/C19H24N3O.HI/c1-21-11-16(15-5-3-4-6-17(15)21)18-20-12-19(23-18)13-22(2)9-7-14(19)8-10-22;/h3-6,11,14H,7-10,12-13H2,1-2H3;1H/q+1;/p-1/t14?,19-,22?;/s2
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n/an/a 10n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes


J Med Chem 35: 1019-31 (1992)


Article DOI: 10.1021/jm00084a007
BindingDB Entry DOI: 10.7270/Q2833THX
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069655
PNG
(CHEMBL152339 | [(S)-2-(3,5-Bis-trifluoromethyl-ben...)
Show SMILES Cn1nnnc1CN[C@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C20H19F6N5O/c1-31-18(28-29-30-31)10-27-17(14-5-3-2-4-6-14)12-32-11-13-7-15(19(21,22)23)9-16(8-13)20(24,25)26/h2-9,17,27H,10-12H2,1H3/t17-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 8: 51-6 (1999)


Article DOI: 10.1016/s0960-894x(97)10163-9
BindingDB Entry DOI: 10.7270/Q2Q23ZCG
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455919
PNG
(CHEMBL276199)
Show SMILES Cn1cc(C2=NCC3(CC4CCC(C3)N4)O2)c2ccccc12
Show InChI InChI=1/C18H21N3O/c1-21-10-15(14-4-2-3-5-16(14)21)17-19-11-18(22-17)8-12-6-7-13(9-18)20-12/h2-5,10,12-13,20H,6-9,11H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes


J Med Chem 35: 1019-31 (1992)


Article DOI: 10.1021/jm00084a007
BindingDB Entry DOI: 10.7270/Q2833THX
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069654
PNG
(CHEMBL345315 | [(S)-2-(3,5-Bis-trifluoromethyl-ben...)
Show SMILES CN(Cc1nnnn1C)[C@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C21H21F6N5O/c1-31(11-19-28-29-30-32(19)2)18(15-6-4-3-5-7-15)13-33-12-14-8-16(20(22,23)24)10-17(9-14)21(25,26)27/h3-10,18H,11-13H2,1-2H3/t18-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 8: 51-6 (1999)


Article DOI: 10.1016/s0960-894x(97)10163-9
BindingDB Entry DOI: 10.7270/Q2Q23ZCG
More data for this
Ligand-Target Pair
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