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Compile Data Set for Download or QSAR

Found 1049 hits with Last Name = 'neu' and Initial = 'm'   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50316949
PNG
((3R)-3-((3-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl...)
Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3C4CCC3CC(Cc3ccc5CCC(=O)Nc5c3)C4)COc21 |r|
Show InChI InChI=1S/C28H31N3O4/c32-26-8-3-18-2-1-16(12-24(18)30-26)9-17-10-19-4-5-20(11-17)31(19)14-21-15-34-28-22-13-27(33)29-23(22)6-7-25(28)35-21/h1-2,6-7,12,17,19-21H,3-5,8-11,13-15H2,(H,29,33)(H,30,32)/t17?,19?,20?,21-/m1/s1
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0.260n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram form human SRET by liquid scintillation counting


Bioorg Med Chem Lett 20: 2983-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50302220
PNG
(7-((1-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-...)
Show SMILES Fc1ccc2[nH]c3CCC(CN4CCC(COc5cccc6[nH]c(=O)oc56)CC4)Cc3c2c1
Show InChI InChI=1S/C26H28FN3O3/c27-18-5-7-22-20(13-18)19-12-17(4-6-21(19)28-22)14-30-10-8-16(9-11-30)15-32-24-3-1-2-23-25(24)33-26(31)29-23/h1-3,5,7,13,16-17,28H,4,6,8-12,14-15H2,(H,29,31)
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0.400n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 5552-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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0.620n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50172158
PNG
((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H19ClFNO6S3/c1-14(24-31(2,25)26)15-7-10-17(11-8-15)32(27,28)20-12-9-16(22)13-21(20)33(29,30)19-6-4-3-5-18(19)23/h3-14,24H,1-2H3/t14-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50302213
PNG
((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...)
Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r|
Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 5552-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000240
PNG
(CHEMBL435796)
Show SMILES Cc1ccccc1C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C22H24F6N2O/c1-15-4-2-3-5-19(15)20(30-8-6-29-7-9-30)14-31-13-16-10-17(21(23,24)25)12-18(11-16)22(26,27)28/h2-5,10-12,20,29H,6-9,13-14H2,1H3
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1n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50302225
PNG
((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...)
Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 5552-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Substance-P receptor


(Homo sapiens (Human))
BDBM50421552
PNG
(CHEMBL108200)
Show SMILES COc1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C22H24F6N2O2/c1-31-19-4-2-3-16(11-19)20(30-7-5-29-6-8-30)14-32-13-15-9-17(21(23,24)25)12-18(10-15)22(26,27)28/h2-4,9-12,20,29H,5-8,13-14H2,1H3
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1n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50302225
PNG
((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...)
Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram form human SRET by liquid scintillation counting


Bioorg Med Chem Lett 20: 2983-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309538
PNG
(5-Ethyl-2-methyl-1-phenyl-1H-imidazole-4-carboxyli...)
Show SMILES CCc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
Show InChI InChI=1S/C23H29N3O/c1-3-20-21(24-15(2)26(20)19-7-5-4-6-8-19)22(27)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-8,16-18H,3,9-14H2,1-2H3,(H,25,27)
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1.03n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000241
PNG
(CHEMBL138824)
Show SMILES C[C@H](OC[C@@H](N1CCN(CCOCC(O)=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H30F6N2O4/c1-18(20-13-21(25(27,28)29)15-22(14-20)26(30,31)32)38-16-23(19-5-3-2-4-6-19)34-9-7-33(8-10-34)11-12-37-17-24(35)36/h2-6,13-15,18,23H,7-12,16-17H2,1H3,(H,35,36)/t18-,23+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000252
PNG
(CHEMBL136347)
Show SMILES C[C@H](OC[C@@H](N1CCN(CC(O)=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H26F6N2O3/c1-16(18-11-19(23(25,26)27)13-20(12-18)24(28,29)30)35-15-21(17-5-3-2-4-6-17)32-9-7-31(8-10-32)14-22(33)34/h2-6,11-13,16,21H,7-10,14-15H2,1H3,(H,33,34)/t16-,21+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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1.36n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159929
PNG
(CHEMBL3786752)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)c(Cl)c1)N1CC(CC)C=N1 |c:22|
Show InChI InChI=1/C14H20ClN5O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)11-5-6-13(16)12(15)7-11/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,19)
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1.5n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50316948
PNG
((R)-7-[8-(2-Oxo-1,2,3,4-tetrahydro-quinolin-7-ylme...)
Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3CC4CCC(C3)C4Cc3ccc4CCC(=O)Nc4c3)COc21 |r|
Show InChI InChI=1S/C28H31N3O4/c32-26-8-5-17-2-1-16(10-24(17)30-26)9-21-18-3-4-19(21)13-31(12-18)14-20-15-34-28-22-11-27(33)29-23(22)6-7-25(28)35-20/h1-2,6-7,10,18-21H,3-5,8-9,11-15H2,(H,29,33)(H,30,32)/t18?,19?,20-,21?/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram form human SRET by liquid scintillation counting


Bioorg Med Chem Lett 20: 2983-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421561
PNG
(CHEMBL419742)
Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2cccc(Cl)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H21ClF6N2O/c22-18-3-1-2-15(10-18)19(30-6-4-29-5-7-30)13-31-12-14-8-16(20(23,24)25)11-17(9-14)21(26,27)28/h1-3,8-11,19,29H,4-7,12-13H2
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1.60n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421567
PNG
(CHEMBL109937)
Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H22F6N2O/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-30-14-19(16-4-2-1-3-5-16)29-8-6-28-7-9-29/h1-5,10-12,19,28H,6-9,13-14H2
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1.60n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421562
PNG
(CHEMBL108889)
Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccccc2Cl)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H21ClF6N2O/c22-18-4-2-1-3-17(18)19(30-7-5-29-6-8-30)13-31-12-14-9-15(20(23,24)25)11-16(10-14)21(26,27)28/h1-4,9-11,19,29H,5-8,12-13H2
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1.60n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000236
PNG
(CHEMBL140080)
Show SMILES CN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C22H24F6N2O/c1-29-7-9-30(10-8-29)20(17-5-3-2-4-6-17)15-31-14-16-11-18(21(23,24)25)13-19(12-16)22(26,27)28/h2-6,11-13,20H,7-10,14-15H2,1H3
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1.60n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000238
PNG
(CHEMBL336305)
Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2cccc(C=C)c2C=C)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H26F6N2O/c1-3-18-6-5-7-22(21(18)4-2)23(33-10-8-32-9-11-33)16-34-15-17-12-19(24(26,27)28)14-20(13-17)25(29,30)31/h3-7,12-14,23,32H,1-2,8-11,15-16H2
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1.60n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309540
PNG
(2-Ethyl-5-methyl-1-phenyl-1H-imidazole-4-carboxyli...)
Show SMILES CCc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 |TLB:7:8:11.10.15:13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8,7:8:11:15.14.13|
Show InChI InChI=1S/C23H29N3O/c1-3-20-24-21(15(2)26(20)19-7-5-4-6-8-19)22(27)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-8,16-18H,3,9-14H2,1-2H3,(H,25,27)
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1.60n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50316947
PNG
(CHEMBL1087818 | N-(3-(2-(8-((2-oxo-1,2,3,4-tetrahy...)
Show SMILES CS(=O)(=O)Nc1cccc(OCCN2CC3CCC(C2)C3Cc2ccc3CCC(=O)Nc3c2)c1
Show InChI InChI=1S/C26H33N3O4S/c1-34(31,32)28-22-3-2-4-23(15-22)33-12-11-29-16-20-7-8-21(17-29)24(20)13-18-5-6-19-9-10-26(30)27-25(19)14-18/h2-6,14-15,20-21,24,28H,7-13,16-17H2,1H3,(H,27,30)
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1.70n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram form human SRET by liquid scintillation counting


Bioorg Med Chem Lett 20: 2983-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159784
PNG
(CHEMBL3785453)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)c(Cl)c1)N1CC2(CCCC2)C=N1 |c:25|
Show InChI InChI=1S/C16H22ClN5O2S/c1-2-19-15(22-11-16(10-20-22)7-3-4-8-16)21-25(23,24)12-5-6-14(18)13(17)9-12/h5-6,9-10H,2-4,7-8,11,18H2,1H3,(H,19,21)
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1.80n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50316955
PNG
((R)-3-((4-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)...)
Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3CCC(Cc4ccc5CCC(=O)Nc5c4)CC3)COc21 |r|
Show InChI InChI=1S/C26H29N3O4/c30-24-6-3-18-2-1-17(12-22(18)28-24)11-16-7-9-29(10-8-16)14-19-15-32-26-20-13-25(31)27-21(20)4-5-23(26)33-19/h1-2,4-5,12,16,19H,3,6-11,13-15H2,(H,27,31)(H,28,30)/t19-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram form human SRET by liquid scintillation counting


Bioorg Med Chem Lett 20: 2983-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50302213
PNG
((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...)
Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r|
Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1
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2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT2A receptor


Bioorg Med Chem Lett 19: 5552-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50302213
PNG
((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...)
Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r|
Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1
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2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT2A receptor


Bioorg Med Chem Lett 19: 5552-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000248
PNG
(CHEMBL139750)
Show SMILES OCCN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C23H26F6N2O2/c24-22(25,26)19-12-17(13-20(14-19)23(27,28)29)15-33-16-21(18-4-2-1-3-5-18)31-8-6-30(7-9-31)10-11-32/h1-5,12-14,21,32H,6-11,15-16H2
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2n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000255
PNG
(CHEMBL139088)
Show SMILES Fc1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C21H21F7N2O/c22-18-3-1-2-15(10-18)19(30-6-4-29-5-7-30)13-31-12-14-8-16(20(23,24)25)11-17(9-14)21(26,27)28/h1-3,8-11,19,29H,4-7,12-13H2
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2n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000239
PNG
(CHEMBL342266)
Show SMILES FC(F)(F)c1cc(COCC(N2CCN(Cc3ccccn3)CC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C27H27F6N3O/c28-26(29,30)22-14-20(15-23(16-22)27(31,32)33)18-37-19-25(21-6-2-1-3-7-21)36-12-10-35(11-13-36)17-24-8-4-5-9-34-24/h1-9,14-16,25H,10-13,17-19H2
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2n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312822
PNG
((R)-1-(4-chlorophenyl)-N-methyl-5-phenyl-N'-(4-(tr...)
Show SMILES CNC(=NS(=O)(=O)N1CCC(CC1)C(F)(F)F)C1=NN([C@H](C1)c1ccccc1)c1ccc(Cl)cc1 |r,w:3.3,t:18|
Show InChI InChI=1S/C23H25ClF3N5O2S/c1-28-22(30-35(33,34)31-13-11-17(12-14-31)23(25,26)27)20-15-21(16-5-3-2-4-6-16)32(29-20)19-9-7-18(24)8-10-19/h2-10,17,21H,11-15H2,1H3,(H,28,30)/t21-/m1/s1
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2n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1752-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.049
BindingDB Entry DOI: 10.7270/Q2736RWV
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000221
PNG
(CHEMBL336251)
Show SMILES CCCCN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C25H30F6N2O/c1-2-3-9-32-10-12-33(13-11-32)23(20-7-5-4-6-8-20)18-34-17-19-14-21(24(26,27)28)16-22(15-19)25(29,30)31/h4-8,14-16,23H,2-3,9-13,17-18H2,1H3
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2.5n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000243
PNG
(CHEMBL423913)
Show SMILES C[C@H](OC[C@H](N1CCN(CCOCC(O)=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H30F6N2O4/c1-18(20-13-21(25(27,28)29)15-22(14-20)26(30,31)32)38-16-23(19-5-3-2-4-6-19)34-9-7-33(8-10-34)11-12-37-17-24(35)36/h2-6,13-15,18,23H,7-12,16-17H2,1H3,(H,35,36)/t18-,23-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50316952
PNG
((R)-3-((4-(2-oxo-1,2,3,4-tetrahydroquinolin-7-ylox...)
Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3CCC(CC3)Oc3ccc4CCC(=O)Nc4c3)COc21 |r|
Show InChI InChI=1S/C25H27N3O5/c29-23-6-2-15-1-3-17(11-21(15)27-23)32-16-7-9-28(10-8-16)13-18-14-31-25-19-12-24(30)26-20(19)4-5-22(25)33-18/h1,3-5,11,16,18H,2,6-10,12-14H2,(H,26,30)(H,27,29)/t18-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human dopamine D2 receptor by liquid scintillation counting


Bioorg Med Chem Lett 20: 2983-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354607
PNG
(CHEMBL1834337)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1F)N1CC(CC)C=N1 |w:2.1,c:22|
Show InChI InChI=1S/C14H18ClFN4O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)12-7-5-6-11(15)13(12)16/h5-8,10H,3-4,9H2,1-2H3,(H,17,19)
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2.70n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309534
PNG
(2,5-Dimethyl-1-phenyl-1H-imidazole-4-carboxylic ac...)
Show SMILES Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 |THB:12:11:8:14.13.15,12:13:10.11.16:8,15:13:10:16.7.8,15:7:10:14.12.13,6:7:10:14.12.13|
Show InChI InChI=1S/C22H27N3O/c1-14-20(23-15(2)25(14)19-6-4-3-5-7-19)21(26)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h3-7,16-18H,8-13H2,1-2H3,(H,24,26)
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2.70n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354585
PNG
(CHEMBL1834226)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21|
Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18)
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2.80n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from D2 receptor


Bioorg Med Chem Lett 19: 5552-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50302218
PNG
(7-(1-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-y...)
Show SMILES Fc1ccc2[nH]c3CCC(CN4CCC(CC4)Oc4cccc5[nH]c(=O)oc45)Cc3c2c1
Show InChI InChI=1S/C25H26FN3O3/c26-16-5-7-21-19(13-16)18-12-15(4-6-20(18)27-21)14-29-10-8-17(9-11-29)31-23-3-1-2-22-24(23)32-25(30)28-22/h1-3,5,7,13,15,17,27H,4,6,8-12,14H2,(H,28,30)
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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 5552-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone form human dopamine D2 receptor by liquid scintillation counting


Bioorg Med Chem Lett 20: 2983-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50302213
PNG
((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...)
Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r|
Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1
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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from D2 receptor


Bioorg Med Chem Lett 19: 5552-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50317250
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methy...)
Show SMILES CSc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCC1
Show InChI InChI=1S/C21H19Cl3N4OS/c1-30-20-18(21(29)26-27-10-2-3-11-27)25-28(17-9-8-15(23)12-16(17)24)19(20)13-4-6-14(22)7-5-13/h4-9,12H,2-3,10-11H2,1H3,(H,26,29)
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3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
BindingDB Entry DOI: 10.7270/Q2XG9S33
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50302213
PNG
((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...)
Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r|
Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1
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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from D2 receptor


Bioorg Med Chem Lett 19: 5552-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50303835
PNG
(3-(4-Chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-N...)
Show SMILES CN(C)CCCN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:6.5,c:23|
Show InChI InChI=1S/C27H29Cl2N5O2S/c1-33(2)18-6-17-30-27(32-37(35,36)24-15-13-23(29)14-16-24)34-19-25(20-7-4-3-5-8-20)26(31-34)21-9-11-22(28)12-10-21/h3-5,7-16,25H,6,17-19H2,1-2H3,(H,30,32)
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3.10n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
BindingDB Entry DOI: 10.7270/Q2WQ03WT
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000250
PNG
(CHEMBL337789)
Show SMILES NC(=O)COCCN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C25H29F6N3O3/c26-24(27,28)20-12-18(13-21(14-20)25(29,30)31)15-37-16-22(19-4-2-1-3-5-19)34-8-6-33(7-9-34)10-11-36-17-23(32)35/h1-5,12-14,22H,6-11,15-17H2,(H2,32,35)
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3.20n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000242
PNG
(CHEMBL342443)
Show SMILES C[C@H](OC[C@H](N1CCN(CC(O)=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H26F6N2O3/c1-16(18-11-19(23(25,26)27)13-20(12-18)24(28,29)30)35-15-21(17-5-3-2-4-6-17)32-9-7-31(8-10-32)14-22(33)34/h2-6,11-13,16,21H,7-10,14-15H2,1H3,(H,33,34)/t16-,21-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421554
PNG
(CHEMBL107875)
Show SMILES Fc1cccc(C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)N2CCNCC2)c1F
Show InChI InChI=1S/C21H20F8N2O/c22-17-3-1-2-16(19(17)23)18(31-6-4-30-5-7-31)12-32-11-13-8-14(20(24,25)26)10-15(9-13)21(27,28)29/h1-3,8-10,18,30H,4-7,11-12H2
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3.20n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000228
PNG
(CHEMBL136504)
Show SMILES Clc1cc(Cl)cc(COCC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H22Cl2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2
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3.20n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000233
PNG
(CHEMBL136360)
Show SMILES Cc1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C22H24F6N2O/c1-15-3-2-4-17(9-15)20(30-7-5-29-6-8-30)14-31-13-16-10-18(21(23,24)25)12-19(11-16)22(26,27)28/h2-4,9-12,20,29H,5-8,13-14H2,1H3
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3.20n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325599
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC(C)(C)c1ccccc1 |t:5|
Show InChI InChI=1S/C24H31N3O/c1-4-5-8-17-22-21(19-13-9-6-10-14-19)18-27(26-22)23(28)25-24(2,3)20-15-11-7-12-16-20/h6-7,9-16,21H,4-5,8,17-18H2,1-3H3,(H,25,28)
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3.26n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50325587
PNG
(3-butyl-5,5-dimethyl-4-phenyl-N-((1R,2S,4R)-1,7,7-...)
Show SMILES CCCCC1=NN(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C(C)(C)C1c1ccccc1 |r,t:4|
Show InChI InChI=1S/C26H39N3O/c1-7-8-14-20-22(18-12-10-9-11-13-18)25(4,5)29(28-20)23(30)27-21-17-19-15-16-26(21,6)24(19,2)3/h9-13,19,21-22H,7-8,14-17H2,1-6H3,(H,27,30)/t19-,21+,22?,26+/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
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