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Compile Data Set for Download or QSAR

Found 352 hits with Last Name = 'herbert' and Initial = 'r'   
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
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50095049
PNG
(3-(1-Phenethyl-piperidin-4-yl)-2-phenyl-1H-indole ...)
Show SMILES C(Cc1ccccc1)N1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C27H28N2/c1-3-9-21(10-4-1)15-18-29-19-16-22(17-20-29)26-24-13-7-8-14-25(24)28-27(26)23-11-5-2-6-12-23/h1-14,22,28H,15-20H2
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0.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells


Bioorg Med Chem Lett 10: 2701-3 (2000)


Article DOI: 10.1016/s0960-894x(00)00559-x
BindingDB Entry DOI: 10.7270/Q23J3C7W
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50451155
PNG
(CHEMBL3084807)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)N1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1/C27H33N3/c1-29-21-11-12-22(29)18-23(17-21)30-15-13-19(14-16-30)26-24-9-5-6-10-25(24)28-27(26)20-7-3-2-4-8-20/h2-10,19,21-23,28H,11-18H2,1H3/t21-,22+,23-
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1.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells


Bioorg Med Chem Lett 10: 2701-3 (2000)


Article DOI: 10.1016/s0960-894x(00)00559-x
BindingDB Entry DOI: 10.7270/Q23J3C7W
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50095053
PNG
(3-[1-(8-Phenethyl-8-aza-bicyclo[3.2.1]oct-3-yl)-pi...)
Show SMILES C(Cc1ccccc1)N1C2CCC1CC(C2)N1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1/C34H39N3/c1-3-9-25(10-4-1)17-22-37-28-15-16-29(37)24-30(23-28)36-20-18-26(19-21-36)33-31-13-7-8-14-32(31)35-34(33)27-11-5-2-6-12-27/h1-14,26,28-30,35H,15-24H2
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1.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells


Bioorg Med Chem Lett 10: 2701-3 (2000)


Article DOI: 10.1016/s0960-894x(00)00559-x
BindingDB Entry DOI: 10.7270/Q23J3C7W
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50451155
PNG
(CHEMBL3084807)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)N1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1/C27H33N3/c1-29-21-11-12-22(29)18-23(17-21)30-15-13-19(14-16-30)26-24-9-5-6-10-25(24)28-27(26)20-7-3-2-4-8-20/h2-10,19,21-23,28H,11-18H2,1H3/t21-,22+,23-
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1.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells


Bioorg Med Chem Lett 10: 2701-3 (2000)


Article DOI: 10.1016/s0960-894x(00)00559-x
BindingDB Entry DOI: 10.7270/Q23J3C7W
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50095048
PNG
(3-[1-(8-Methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-piper...)
Show SMILES C1CC2CC(CC1N2)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1/C21H22N2/c1-2-6-14(7-3-1)21-20(18-8-4-5-9-19(18)23-21)15-12-16-10-11-17(13-15)22-16/h1-9,15-17,22-23H,10-13H2
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1.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells


Bioorg Med Chem Lett 10: 2701-3 (2000)


Article DOI: 10.1016/s0960-894x(00)00559-x
BindingDB Entry DOI: 10.7270/Q23J3C7W
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50095053
PNG
(3-[1-(8-Phenethyl-8-aza-bicyclo[3.2.1]oct-3-yl)-pi...)
Show SMILES C(Cc1ccccc1)N1C2CCC1CC(C2)N1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1/C34H39N3/c1-3-9-25(10-4-1)17-22-37-28-15-16-29(37)24-30(23-28)36-20-18-26(19-21-36)33-31-13-7-8-14-32(31)35-34(33)27-11-5-2-6-12-27/h1-14,26,28-30,35H,15-24H2
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2.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells


Bioorg Med Chem Lett 10: 2701-3 (2000)


Article DOI: 10.1016/s0960-894x(00)00559-x
BindingDB Entry DOI: 10.7270/Q23J3C7W
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50095028
PNG
(2-Phenyl-3-(2-piperidin-1-yl-ethyl)-1H-indole | CH...)
Show SMILES C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCCC1
Show InChI InChI=1S/C21H24N2/c1-3-9-17(10-4-1)21-19(13-16-23-14-7-2-8-15-23)18-11-5-6-12-20(18)22-21/h1,3-6,9-12,22H,2,7-8,13-16H2
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2.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells


Bioorg Med Chem Lett 10: 2701-3 (2000)


Article DOI: 10.1016/s0960-894x(00)00559-x
BindingDB Entry DOI: 10.7270/Q23J3C7W
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50095054
PNG
(1-{2-[4-(2-Phenyl-1H-indol-3-yl)-piperidin-1-yl]-e...)
Show SMILES O=C1NCCN1CCN1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H28N4O/c29-24-25-12-15-28(24)17-16-27-13-10-18(11-14-27)22-20-8-4-5-9-21(20)26-23(22)19-6-2-1-3-7-19/h1-9,18,26H,10-17H2,(H,25,29)
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7.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells


Bioorg Med Chem Lett 10: 2701-3 (2000)


Article DOI: 10.1016/s0960-894x(00)00559-x
BindingDB Entry DOI: 10.7270/Q23J3C7W
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50095055
PNG
(3-(1-Methyl-piperidin-4-yl)-2-phenyl-1H-indole | C...)
Show SMILES CN1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H22N2/c1-22-13-11-15(12-14-22)19-17-9-5-6-10-18(17)21-20(19)16-7-3-2-4-8-16/h2-10,15,21H,11-14H2,1H3
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7.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells


Bioorg Med Chem Lett 10: 2701-3 (2000)


Article DOI: 10.1016/s0960-894x(00)00559-x
BindingDB Entry DOI: 10.7270/Q23J3C7W
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50095050
PNG
(2-Phenyl-3-piperidin-4-yl-1H-indole | 2-phenyl-3-(...)
Show SMILES C1CC(CCN1)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C19H20N2/c1-2-6-15(7-3-1)19-18(14-10-12-20-13-11-14)16-8-4-5-9-17(16)21-19/h1-9,14,20-21H,10-13H2
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12n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells


Bioorg Med Chem Lett 10: 2701-3 (2000)


Article DOI: 10.1016/s0960-894x(00)00559-x
BindingDB Entry DOI: 10.7270/Q23J3C7W
More data for this
Ligand-Target Pair
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
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50095051
PNG
(3-(1-Benzyl-piperidin-4-yl)-2-phenyl-1H-indole | C...)
Show SMILES C(N1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H26N2/c1-3-9-20(10-4-1)19-28-17-15-21(16-18-28)25-23-13-7-8-14-24(23)27-26(25)22-11-5-2-6-12-22/h1-14,21,27H,15-19H2
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28n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells


Bioorg Med Chem Lett 10: 2701-3 (2000)


Article DOI: 10.1016/s0960-894x(00)00559-x
BindingDB Entry DOI: 10.7270/Q23J3C7W
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))
BDBM50002660
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES C(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30N2/c1-4-10-21(11-5-1)20-28-26-24-16-18-29(19-17-24)27(26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-28H,16-20H2/t26-,27-/m0/s1
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n/an/a 0.0850n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1


J Med Chem 38: 4793-805 (1996)


Article DOI: 10.1021/jm00024a007
BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50290861
PNG
(5-{3-[1-(3,5-Dichloro-phenyl)-ethoxy]-2-phenyl-pip...)
Show SMILES C[C@@H](O[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C22H24Cl2N4O2/c1-14(16-10-17(23)12-18(24)11-16)30-19-8-5-9-28(13-20-25-22(29)27-26-20)21(19)15-6-3-2-4-7-15/h2-4,6-7,10-12,14,19,21H,5,8-9,13H2,1H3,(H2,25,26,27,29)/t14-,19+,21+/m1/s1
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n/an/a 0.0900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of NK1 receptor in rat liver microsomes.


Bioorg Med Chem Lett 7: 2959-2962 (1997)


Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX
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))
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
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50290865
PNG
(3-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-2-ph...)
Show SMILES C[C@@H](O[C@H]1CCCN[C@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H21F6NO/c1-13(15-10-16(20(22,23)24)12-17(11-15)21(25,26)27)29-18-8-5-9-28-19(18)14-6-3-2-4-7-14/h2-4,6-7,10-13,18-19,28H,5,8-9H2,1H3/t13-,18+,19+/m1/s1
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n/an/a 0.150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of NK1 receptor in rat liver microsomes.


Bioorg Med Chem Lett 7: 2959-2962 (1997)


Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50290856
PNG
(3-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-2-ph...)
Show SMILES C[C@@H](O[C@H]1CCCN(Cc2nnc[nH]2)[C@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H24F6N4O/c1-15(17-10-18(23(25,26)27)12-19(11-17)24(28,29)30)35-20-8-5-9-34(13-21-31-14-32-33-21)22(20)16-6-3-2-4-7-16/h2-4,6-7,10-12,14-15,20,22H,5,8-9,13H2,1H3,(H,31,32,33)/t15-,20+,22+/m1/s1
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n/an/a 0.160n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of NK1 receptor in rat liver microsomes.


Bioorg Med Chem Lett 7: 2959-2962 (1997)


Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50290859
PNG
(5-{3-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-2...)
Show SMILES C[C@@H](O[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H24F6N4O2/c1-14(16-10-17(23(25,26)27)12-18(11-16)24(28,29)30)36-19-8-5-9-34(13-20-31-22(35)33-32-20)21(19)15-6-3-2-4-7-15/h2-4,6-7,10-12,14,19,21H,5,8-9,13H2,1H3,(H2,31,32,33,35)/t14-,19+,21+/m1/s1
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n/an/a 0.160n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of NK1 receptor in rat liver microsomes.


Bioorg Med Chem Lett 7: 2959-2962 (1997)


Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50052280
PNG
((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3nnc[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C23H22F6N4O/c24-22(25,26)17-9-15(10-18(11-17)23(27,28)29)13-34-19-7-4-8-33(12-20-30-14-31-32-20)21(19)16-5-2-1-3-6-16/h1-3,5-6,9-11,14,19,21H,4,7-8,12-13H2,(H,30,31,32)/t19-,21-/m0/s1
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n/an/a 0.180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of NK1 receptor in rat liver microsomes.


Bioorg Med Chem Lett 7: 2959-2962 (1997)


Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50029878
PNG
((2R,3S)-2-Benzhydryl-3-(3,5-bis-trifluoromethyl-be...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H27F6NO/c30-28(31,32)23-15-19(16-24(17-23)29(33,34)35)18-37-27-22-11-13-36(14-12-22)26(27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,15-17,22,25-27H,11-14,18H2/t26-,27+/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1


J Med Chem 38: 4793-805 (1996)


Article DOI: 10.1021/jm00024a007
BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50029884
PNG
((2S,3S)-2-Benzhydryl-3-(3,5-bis-trifluoromethyl-be...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H27F6NO/c30-28(31,32)23-15-19(16-24(17-23)29(33,34)35)18-37-27-22-11-13-36(14-12-22)26(27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,15-17,22,25-27H,11-14,18H2/t26-,27-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1


J Med Chem 38: 4793-805 (1996)


Article DOI: 10.1021/jm00024a007
BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50029871
PNG
(2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-aza-bicy...)
Show SMILES Cc1cc(C)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1/C29H33NO/c1-21-17-22(2)19-23(18-21)20-31-29-26-13-15-30(16-14-26)28(29)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,17-19,26-29H,13-16,20H2,1-2H3
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n/an/a 0.260n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1


J Med Chem 38: 4793-805 (1996)


Article DOI: 10.1021/jm00024a007
BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50029871
PNG
(2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-aza-bicy...)
Show SMILES Cc1cc(C)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1/C29H33NO/c1-21-17-22(2)19-23(18-21)20-31-29-26-13-15-30(16-14-26)28(29)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,17-19,26-29H,13-16,20H2,1-2H3
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n/an/a 0.260n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1


J Med Chem 38: 4793-805 (1996)


Article DOI: 10.1021/jm00024a007
BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50029847
PNG
(2-Benzhydryl-3-(3-iodo-5-methyl-benzyloxy)-1-aza-b...)
Show SMILES Cc1cc(I)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1/C28H30INO/c1-20-16-21(18-25(29)17-20)19-31-28-24-12-14-30(15-13-24)27(28)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,16-18,24,26-28H,12-15,19H2,1H3
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n/an/a 0.320n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1


J Med Chem 38: 4793-805 (1996)


Article DOI: 10.1021/jm00024a007
BindingDB Entry DOI: 10.7270/Q2PG1QRK
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
Substance-P receptor


(Homo sapiens (Human))
BDBM50000040
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/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
Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1


J Med Chem 38: 4793-805 (1996)


Article DOI: 10.1021/jm00024a007
BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50049468
PNG
((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2/t17-,18-/s2
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n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of NK1 receptor in rat liver microsomes.


Bioorg Med Chem Lett 7: 2959-2962 (1997)


Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50029869
PNG
(2-Benzhydryl-3-(3-methyl-5-trimethylsilanyl-benzyl...)
Show SMILES Cc1cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc(c1)[Si](C)(C)C
Show InChI InChI=1/C31H39NOSi/c1-23-19-24(21-28(20-23)34(2,3)4)22-33-31-27-15-17-32(18-16-27)30(31)29(25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-14,19-21,27,29-31H,15-18,22H2,1-4H3
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n/an/a 0.900n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1


J Med Chem 38: 4793-805 (1996)


Article DOI: 10.1021/jm00024a007
BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50290863
PNG
(3-[1-(3,5-Dichloro-phenyl)-ethoxy]-2-phenyl-piperi...)
Show SMILES C[C@@H](O[C@H]1CCCN[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H21Cl2NO/c1-13(15-10-16(20)12-17(21)11-15)23-18-8-5-9-22-19(18)14-6-3-2-4-7-14/h2-4,6-7,10-13,18-19,22H,5,8-9H2,1H3/t13-,18+,19+/m1/s1
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n/an/a 0.910n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of NK1 receptor in rat liver microsomes.


Bioorg Med Chem Lett 7: 2959-2962 (1997)


Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX
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
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))
BDBM50029879
PNG
(2-Benzhydryl-3-(3-methoxy-5-methyl-benzyloxy)-1-az...)
Show SMILES COc1cc(C)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1/C29H33NO2/c1-21-17-22(19-26(18-21)31-2)20-32-29-25-13-15-30(16-14-25)28(29)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,17-19,25,27-29H,13-16,20H2,1-2H3
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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
Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1


J Med Chem 38: 4793-805 (1996)


Article DOI: 10.1021/jm00024a007
BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50029879
PNG
(2-Benzhydryl-3-(3-methoxy-5-methyl-benzyloxy)-1-az...)
Show SMILES COc1cc(C)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1/C29H33NO2/c1-21-17-22(19-26(18-21)31-2)20-32-29-25-13-15-30(16-14-25)28(29)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,17-19,25,27-29H,13-16,20H2,1-2H3
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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
Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1


J Med Chem 38: 4793-805 (1996)


Article DOI: 10.1021/jm00024a007
BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50029839
PNG
(2-Benzhydryl-3-(3,5-bis-trifluoromethyl-benzyloxy)...)
Show SMILES FC(F)(F)c1cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1/C29H27F6NO/c30-28(31,32)23-15-19(16-24(17-23)29(33,34)35)18-37-27-22-11-13-36(14-12-22)26(27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,15-17,22,25-27H,11-14,18H2
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n/an/a 1.60n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1


J Med Chem 38: 4793-805 (1996)


Article DOI: 10.1021/jm00024a007
BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50029839
PNG
(2-Benzhydryl-3-(3,5-bis-trifluoromethyl-benzyloxy)...)
Show SMILES FC(F)(F)c1cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1/C29H27F6NO/c30-28(31,32)23-15-19(16-24(17-23)29(33,34)35)18-37-27-22-11-13-36(14-12-22)26(27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,15-17,22,25-27H,11-14,18H2
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n/an/a 1.60n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1


J Med Chem 38: 4793-805 (1996)


Article DOI: 10.1021/jm00024a007
BindingDB Entry DOI: 10.7270/Q2PG1QRK
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
Substance-P receptor


(Homo sapiens (Human))
BDBM21016
PNG
(CHEMBL22870 | L 732138 | L-732,138 | L732138 | N-a...)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)/t19-/s2
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n/an/a 2.5n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.


J Med Chem 38: 923-33 (1995)


Article DOI: 10.1021/jm00006a011
BindingDB Entry DOI: 10.7270/Q25D8SG4
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
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
Substance-P receptor


(Homo sapiens (Human))
BDBM50029852
PNG
(3-(3,5-Dimethyl-benzyloxy)-2-(1,2-diphenyl-ethyl)-...)
Show SMILES Cc1cc(C)cc(COC2C3CCN(CC3)C2C(Cc2ccccc2)c2ccccc2)c1
Show InChI InChI=1/C30H35NO/c1-22-17-23(2)19-25(18-22)21-32-30-27-13-15-31(16-14-27)29(30)28(26-11-7-4-8-12-26)20-24-9-5-3-6-10-24/h3-12,17-19,27-30H,13-16,20-21H2,1-2H3
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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
Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1


J Med Chem 38: 4793-805 (1996)


Article DOI: 10.1021/jm00024a007
BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50029852
PNG
(3-(3,5-Dimethyl-benzyloxy)-2-(1,2-diphenyl-ethyl)-...)
Show SMILES Cc1cc(C)cc(COC2C3CCN(CC3)C2C(Cc2ccccc2)c2ccccc2)c1
Show InChI InChI=1/C30H35NO/c1-22-17-23(2)19-25(18-22)21-32-30-27-13-15-31(16-14-27)29(30)28(26-11-7-4-8-12-26)20-24-9-5-3-6-10-24/h3-12,17-19,27-30H,13-16,20-21H2,1-2H3
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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
Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1


J Med Chem 38: 4793-805 (1996)


Article DOI: 10.1021/jm00024a007
BindingDB Entry DOI: 10.7270/Q2PG1QRK
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
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