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Compile Data Set for Download or QSAR

Found 288 hits with Last Name = 'bös' 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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50001524
PNG
(CHEMBL24474)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCNCC1
Show InChI InChI=1S/C15H17BrN4O2S/c16-14-9-13(10-15(19-14)20-7-5-18-6-8-20)23(21,22)12-3-1-11(17)2-4-12/h1-4,9-10,18H,5-8,17H2
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0.110n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche

Curated by ChEMBL


Assay Description
Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]LSD as radioligand


J Med Chem 46: 1273-6 (2003)

Checked by Author
Article DOI: 10.1021/jm021085c
BindingDB Entry DOI: 10.7270/Q20G3MCZ
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178575
PNG
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(6-(4-hydroxy...)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCC(O)CC1
Show InChI InChI=1S/C30H31F6N3O2/c1-18-7-5-6-8-23(18)24-16-26(39-11-9-22(40)10-12-39)37-17-25(24)38(4)27(41)28(2,3)19-13-20(29(31,32)33)15-21(14-19)30(34,35)36/h5-8,13-17,22,40H,9-12H2,1-4H3
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0.400n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178558
PNG
(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(nc1-c1ccccc1C)N1CCN(C)CC1
Show InChI InChI=1S/C29H31F6N5O/c1-18-8-6-7-9-22(18)24-23(17-36-26(37-24)40-12-10-38(4)11-13-40)39(5)25(41)27(2,3)19-14-20(28(30,31)32)16-21(15-19)29(33,34)35/h6-9,14-17H,10-13H2,1-5H3
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0.440n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178565
PNG
(CHEMBL206488 | N-(3,5-bis(trifluoromethyl)benzyl)-...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1cnc(cc1-c1ccccc1C)N1CCN(C)CC1
Show InChI InChI=1S/C28H28F6N4O/c1-18-6-4-5-7-22(18)23-15-25(38-10-8-36(2)9-11-38)35-16-24(23)26(39)37(3)17-19-12-20(27(29,30)31)14-21(13-19)28(32,33)34/h4-7,12-16H,8-11,17H2,1-3H3
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0.580n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178574
PNG
(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCN(C)CC1
Show InChI InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3
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0.950n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228649
PNG
(4-(2-Bromo-6-pyrrolidin-1-yl-pyridine-4-sulfonyl)-...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCCC1
Show InChI InChI=1S/C15H16BrN3O2S/c16-14-9-13(10-15(18-14)19-7-1-2-8-19)22(20,21)12-5-3-11(17)4-6-12/h3-6,9-10H,1-2,7-8,17H2
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche

Curated by ChEMBL


Assay Description
Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]LSD as radioligand


J Med Chem 46: 1273-6 (2003)

Checked by Author
Article DOI: 10.1021/jm021085c
BindingDB Entry DOI: 10.7270/Q20G3MCZ
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178561
PNG
(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCOCC1
Show InChI InChI=1S/C29H29F6N3O2/c1-18-7-5-6-8-22(18)23-16-25(38-9-11-40-12-10-38)36-17-24(23)37(4)26(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17H,9-12H2,1-4H3
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178572
PNG
(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1nc(ncc1-c1ccccc1C)N1CCN(C)CC1
Show InChI InChI=1S/C29H31F6N5O/c1-18-8-6-7-9-22(18)23-17-36-26(40-12-10-38(4)11-13-40)37-24(23)39(5)25(41)27(2,3)19-14-20(28(30,31)32)16-21(15-19)29(33,34)35/h6-9,14-17H,10-13H2,1-5H3
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1.10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178586
PNG
(2-(3,5-bis-trifluoromethyl-phenyl)-N-[6-(1,1-dioxo...)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C29H29F6N3O3S/c1-18-7-5-6-8-22(18)23-16-25(38-9-11-42(40,41)12-10-38)36-17-24(23)37(4)26(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17H,9-12H2,1-4H3
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1.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178581
PNG
(2'-methyl-5-(4-methyl-piperazin-1-yl)-biphenyl-2-c...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1ccc(cc1-c1ccccc1C)N1CCN(C)CC1
Show InChI InChI=1S/C29H29F6N3O/c1-19-6-4-5-7-24(19)26-17-23(38-12-10-36(2)11-13-38)8-9-25(26)27(39)37(3)18-20-14-21(28(30,31)32)16-22(15-20)29(33,34)35/h4-9,14-17H,10-13,18H2,1-3H3
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1.40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178562
PNG
(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ncc1-c1ccccc1C)N1CCN(C)CC1
Show InChI InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-18-37-26(40-12-10-38(4)11-13-40)17-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3
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1.70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178557
PNG
(CHEMBL205829 | N-(3,5-bis(trifluoromethyl)benzyl)-...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1cnc(nc1-c1ccccc1C)N1CCN(C)CC1
Show InChI InChI=1S/C27H27F6N5O/c1-17-6-4-5-7-21(17)23-22(15-34-25(35-23)38-10-8-36(2)9-11-38)24(39)37(3)16-18-12-19(26(28,29)30)14-20(13-18)27(31,32)33/h4-7,12-15H,8-11,16H2,1-3H3
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1.70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178582
PNG
(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1nc(ccc1-c1ccccc1C)N1CCN(C)CC1
Show InChI InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-10-11-25(40-14-12-38(4)13-15-40)37-26(24)39(5)27(41)28(2,3)20-16-21(29(31,32)33)18-22(17-20)30(34,35)36/h6-11,16-18H,12-15H2,1-5H3
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2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50001523
PNG
(CHEMBL23575)
Show SMILES CNc1cc(cc(Br)n1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C12H12BrN3O2S/c1-15-12-7-10(6-11(13)16-12)19(17,18)9-4-2-8(14)3-5-9/h2-7H,14H2,1H3,(H,15,16)
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2.30n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche

Curated by ChEMBL


Assay Description
Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]LSD as radioligand


J Med Chem 46: 1273-6 (2003)

Checked by Author
Article DOI: 10.1021/jm021085c
BindingDB Entry DOI: 10.7270/Q20G3MCZ
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178583
PNG
(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccncc1-c1ccccc1C
Show InChI InChI=1S/C25H22F6N2O/c1-15-7-5-6-8-19(15)20-14-32-10-9-21(20)33(4)22(34)23(2,3)16-11-17(24(26,27)28)13-18(12-16)25(29,30)31/h5-14H,1-4H3
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3.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178553
PNG
(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1C
Show InChI InChI=1S/C25H22F6N2O/c1-15-7-5-6-8-19(15)20-9-10-32-14-21(20)33(4)22(34)23(2,3)16-11-17(24(26,27)28)13-18(12-16)25(29,30)31/h5-14H,1-4H3
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3.40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178584
PNG
(CHEMBL203605 | N-(3,5-bis(trifluoromethyl)benzyl)-...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1nc(ncc1-c1ccccc1C)N1CCN(C)CC1
Show InChI InChI=1S/C27H27F6N5O/c1-17-6-4-5-7-21(17)22-15-34-25(38-10-8-36(2)9-11-38)35-23(22)24(39)37(3)16-18-12-19(26(28,29)30)14-20(13-18)27(31,32)33/h4-7,12-15H,8-11,16H2,1-3H3
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3.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178580
PNG
(CHEMBL265986 | N-(3,5-bis(trifluoromethyl)benzyl)-...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1ncccc1-c1ccccc1C
Show InChI InChI=1S/C23H18F6N2O/c1-14-6-3-4-7-18(14)19-8-5-9-30-20(19)21(32)31(2)13-15-10-16(22(24,25)26)12-17(11-15)23(27,28)29/h3-12H,13H2,1-2H3
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3.80n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178555
PNG
(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncccc1-c1ccccc1C
Show InChI InChI=1S/C25H22F6N2O/c1-15-8-5-6-9-19(15)20-10-7-11-32-21(20)33(4)22(34)23(2,3)16-12-17(24(26,27)28)14-18(13-16)25(29,30)31/h5-14H,1-4H3
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4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178585
PNG
(CHEMBL206294 | N-(3,5-bis(trifluoromethyl)benzyl)-...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1ccncc1-c1ccccc1C
Show InChI InChI=1S/C23H18F6N2O/c1-14-5-3-4-6-18(14)20-12-30-8-7-19(20)21(32)31(2)13-15-9-16(22(24,25)26)11-17(10-15)23(27,28)29/h3-12H,13H2,1-2H3
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4.60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178573
PNG
(CHEMBL381081 | N-(3,5-bis(trifluoromethyl)benzyl)-...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1nc(ccc1-c1ccccc1C)N1CCN(C)CC1
Show InChI InChI=1S/C28H28F6N4O/c1-18-6-4-5-7-22(18)23-8-9-24(38-12-10-36(2)11-13-38)35-25(23)26(39)37(3)17-19-14-20(27(29,30)31)16-21(15-19)28(32,33)34/h4-9,14-16H,10-13,17H2,1-3H3
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6.20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178571
PNG
(CHEMBL204958 | N-(3,5-bis(trifluoromethyl)benzyl)-...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1cnccc1-c1ccccc1C
Show InChI InChI=1S/C23H18F6N2O/c1-14-5-3-4-6-18(14)19-7-8-30-12-20(19)21(32)31(2)13-15-9-16(22(24,25)26)11-17(10-15)23(27,28)29/h3-12H,13H2,1-2H3
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8.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178568
PNG
(1-((3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl)m...)
Show SMILES Cc1onc(c1CN=Nc1c(Cl)cncc1Cl)-c1c(Cl)cccc1Cl |w:7.7,(18.91,-20.24,;17.76,-19.21,;16.26,-19.53,;15.5,-18.19,;16.54,-17.05,;17.93,-17.65,;19.26,-16.88,;20.6,-17.64,;21.93,-16.87,;23.26,-17.64,;24.59,-16.86,;24.57,-15.32,;25.92,-17.62,;25.93,-19.17,;24.6,-19.94,;23.26,-19.17,;21.93,-19.94,;16.21,-15.54,;14.75,-15.08,;13.62,-16.12,;14.42,-13.58,;15.57,-12.54,;17.04,-13.01,;17.36,-14.51,;18.82,-14.99,)|
Show InChI InChI=1S/C16H10Cl4N4O/c1-8-9(5-22-23-16-12(19)6-21-7-13(16)20)15(24-25-8)14-10(17)3-2-4-11(14)18/h2-4,6-7H,5H2,1H3
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15n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178552
PNG
(2'-methyl-biphenyl-2-carboxylic acid (3,5-bis-trif...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1ccccc1-c1ccccc1C
Show InChI InChI=1S/C24H19F6NO/c1-15-7-3-4-8-19(15)20-9-5-6-10-21(20)22(32)31(2)14-16-11-17(23(25,26)27)13-18(12-16)24(28,29)30/h3-13H,14H2,1-2H3
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17n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001524
PNG
(CHEMBL24474)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCNCC1
Show InChI InChI=1S/C15H17BrN4O2S/c16-14-9-13(10-15(19-14)20-7-5-18-6-8-20)23(21,22)12-3-1-11(17)2-4-12/h1-4,9-10,18H,5-8,17H2
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20n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche

Curated by ChEMBL


Assay Description
Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 2C receptor expressed in 3T3 cells using [3H]5-HT as radioligand


J Med Chem 46: 1273-6 (2003)

Checked by Author
Article DOI: 10.1021/jm021085c
BindingDB Entry DOI: 10.7270/Q20G3MCZ
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178560
PNG
(2'-chloro-biphenyl-2-carboxylic acid (3,5-bis-trif...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1ccccc1-c1ccccc1Cl
Show InChI InChI=1S/C23H16ClF6NO/c1-31(13-14-10-15(22(25,26)27)12-16(11-14)23(28,29)30)21(32)19-8-3-2-6-17(19)18-7-4-5-9-20(18)24/h2-12H,13H2,1H3
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22n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50001521
PNG
(CHEMBL23965)
Show SMILES CNc1cc(cc(Br)n1)S(=O)(=O)Nc1ccc(N)cc1
Show InChI InChI=1S/C12H13BrN4O2S/c1-15-12-7-10(6-11(13)16-12)20(18,19)17-9-4-2-8(14)3-5-9/h2-7,17H,14H2,1H3,(H,15,16)
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43n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche

Curated by ChEMBL


Assay Description
Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]LSD as radioligand


J Med Chem 46: 1273-6 (2003)

Checked by Author
Article DOI: 10.1021/jm021085c
BindingDB Entry DOI: 10.7270/Q20G3MCZ
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178551
PNG
(2'-bromo-biphenyl-2-carboxylic acid (3,5-bis-trifl...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1ccccc1-c1ccccc1Br
Show InChI InChI=1S/C23H16BrF6NO/c1-31(13-14-10-15(22(25,26)27)12-16(11-14)23(28,29)30)21(32)19-8-3-2-6-17(19)18-7-4-5-9-20(18)24/h2-12H,13H2,1H3
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45n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178554
PNG
(CHEMBL206274 | N-[1-(2'-bromo-biphenyl-2-yl)-methy...)
Show SMILES Clc1cncc(Cl)c1N=NCc1ccccc1-c1ccccc1Br |w:9.10|
Show InChI InChI=1S/C18H12BrCl2N3/c19-15-8-4-3-7-14(15)13-6-2-1-5-12(13)9-23-24-18-16(20)10-22-11-17(18)21/h1-8,10-11H,9H2
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49n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178567
PNG
(CHEMBL203109 | biphenyl-2-carboxylic acid (3,5-bis...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C23H17F6NO/c1-30(14-15-11-17(22(24,25)26)13-18(12-15)23(27,28)29)21(31)20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-13H,14H2,1H3
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51n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50001522
PNG
(CHEMBL415464)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(Br)c1
Show InChI InChI=1S/C11H8Br2N2O2S/c12-10-5-9(6-11(13)15-10)18(16,17)8-3-1-7(14)2-4-8/h1-6H,14H2
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54n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche

Curated by ChEMBL


Assay Description
Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]LSD as radioligand


J Med Chem 46: 1273-6 (2003)

Checked by Author
Article DOI: 10.1021/jm021085c
BindingDB Entry DOI: 10.7270/Q20G3MCZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090528
PNG
(4-Amino-N-(2,6-bis-dimethylamino-pyrimidin-4-yl)-b...)
Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1
Show InChI InChI=1S/C12H16N6O2S/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18)
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55n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche

Curated by ChEMBL


Assay Description
Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]LSD as radioligand


J Med Chem 46: 1273-6 (2003)

Checked by Author
Article DOI: 10.1021/jm021085c
BindingDB Entry DOI: 10.7270/Q20G3MCZ
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178578
PNG
(CHEMBL203928 | N-biphenyl-2-yl-2-(3,5-bis-trifluor...)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C25H21F6NO/c1-23(2,17-13-18(24(26,27)28)15-19(14-17)25(29,30)31)22(33)32(3)21-12-8-7-11-20(21)16-9-5-4-6-10-16/h4-15H,1-3H3
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68n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178577
PNG
(CHEMBL204165 | N-[1-(2',6'-dichloro-biphenyl-2-yl)...)
Show SMILES Clc1cccc(Cl)c1-c1ccccc1CN=Nc1c(Cl)cncc1Cl |w:15.16,(5.27,-5.18,;6.61,-4.41,;6.61,-2.86,;7.94,-2.09,;9.27,-2.86,;9.28,-4.41,;10.61,-5.17,;7.94,-5.18,;7.94,-6.71,;6.61,-7.48,;6.61,-9.02,;7.94,-9.79,;9.28,-9.01,;9.27,-7.48,;10.6,-6.7,;11.94,-7.47,;13.27,-6.7,;14.61,-7.46,;15.93,-6.69,;15.92,-5.15,;17.26,-7.45,;17.27,-8.99,;15.94,-9.77,;14.61,-9,;13.27,-9.77,)|
Show InChI InChI=1S/C18H11Cl4N3/c19-13-6-3-7-14(20)17(13)12-5-2-1-4-11(12)8-24-25-18-15(21)9-23-10-16(18)22/h1-7,9-10H,8H2
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93n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178564
PNG
(CHEMBL425768 | N-[1-(2'-chloro-biphenyl-2-yl)-meth...)
Show SMILES Clc1ccccc1-c1ccccc1CN=Nc1c(Cl)cncc1Cl |w:14.15|
Show InChI InChI=1S/C18H12Cl3N3/c19-15-8-4-3-7-14(15)13-6-2-1-5-12(13)9-23-24-18-16(20)10-22-11-17(18)21/h1-8,10-11H,9H2
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174n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178570
PNG
(2-(3,5-bis-trifluoromethyl-benzyloxymethyl)-biphen...)
Show SMILES FC(F)(F)c1cc(COCc2ccccc2-c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C22H16F6O/c23-21(24,25)18-10-15(11-19(12-18)22(26,27)28)13-29-14-17-8-4-5-9-20(17)16-6-2-1-3-7-16/h1-12H,13-14H2
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224n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178559
PNG
(CHEMBL436951 | biphenyl-2-carboxylic acid [1-(3,5-...)
Show SMILES CN(C(=O)c1ccccc1-c1ccccc1)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H21F6NO/c1-23(2,17-13-18(24(26,27)28)15-19(14-17)25(29,30)31)32(3)22(33)21-12-8-7-11-20(21)16-9-5-4-6-10-16/h4-15H,1-3H3
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295n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178576
PNG
(CHEMBL381179 | N-(3,5-dichloro-pyridin-4-yl)-N'-[1...)
Show SMILES Cc1ccccc1-c1ccccc1CN=Nc1c(Cl)cncc1Cl |w:14.15|
Show InChI InChI=1S/C19H15Cl2N3/c1-13-6-2-4-8-15(13)16-9-5-3-7-14(16)10-23-24-19-17(20)11-22-12-18(19)21/h2-9,11-12H,10H2,1H3
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316n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178566
PNG
(CHEMBL380827 | biphenyl-2-ylmethyl-(3,5-bis-triflu...)
Show SMILES FC(F)(F)c1cc(CNCc2ccccc2-c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C22H17F6N/c23-21(24,25)18-10-15(11-19(12-18)22(26,27)28)13-29-14-17-8-4-5-9-20(17)16-6-2-1-3-7-16/h1-12,29H,13-14H2
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372n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178556
PNG
(CHEMBL381744 | N-biphenyl-2-yl-2-(3,5-bis-trifluor...)
Show SMILES CN(C(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C23H17F6NO/c1-30(20-10-6-5-9-19(20)16-7-3-2-4-8-16)21(31)13-15-11-17(22(24,25)26)14-18(12-15)23(27,28)29/h2-12,14H,13H2,1H3
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562n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178550
PNG
(CHEMBL438801 | biphenyl-2-ylmethyl-(3,5-bis-triflu...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1ccccc1-c1ccccc1
Show InChI InChI=1S/C23H19F6N/c1-30(15-18-9-5-6-10-21(18)17-7-3-2-4-8-17)14-16-11-19(22(24,25)26)13-20(12-16)23(27,28)29/h2-13H,14-15H2,1H3
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724n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178563
PNG
(CHEMBL383289 | N-[1-biphenyl-2-yl-methylidene]-N'-...)
Show SMILES Clc1cncc(Cl)c1N=NCc1ccccc1-c1ccccc1 |w:9.10|
Show InChI InChI=1S/C18H13Cl2N3/c19-16-11-21-12-17(20)18(16)23-22-10-14-8-4-5-9-15(14)13-6-2-1-3-7-13/h1-9,11-12H,10H2
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933n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50001524
PNG
(CHEMBL24474)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCNCC1
Show InChI InChI=1S/C15H17BrN4O2S/c16-14-9-13(10-15(19-14)20-7-5-18-6-8-20)23(21,22)12-3-1-11(17)2-4-12/h1-4,9-10,18H,5-8,17H2
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1.12E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche

Curated by ChEMBL


Assay Description
Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 1D receptor expressed in HEK 293 cells using [3H]LSD as radioligand


J Med Chem 46: 1273-6 (2003)

Checked by Author
Article DOI: 10.1021/jm021085c
BindingDB Entry DOI: 10.7270/Q20G3MCZ
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178549
PNG
(CHEMBL206016 | N-biphenyl-2-yl-2-(3,5-bis-trifluor...)
Show SMILES CC(C)(C(=O)Nc1ccccc1-c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H19F6NO/c1-22(2,16-12-17(23(25,26)27)14-18(13-16)24(28,29)30)21(32)31-20-11-7-6-10-19(20)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,31,32)
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1.38E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50228649
PNG
(4-(2-Bromo-6-pyrrolidin-1-yl-pyridine-4-sulfonyl)-...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCCC1
Show InChI InChI=1S/C15H16BrN3O2S/c16-14-9-13(10-15(18-14)19-7-1-2-8-19)22(20,21)12-5-3-11(17)4-6-12/h3-6,9-10H,1-2,7-8,17H2
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1.45E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche

Curated by ChEMBL


Assay Description
Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 2A receptor expressed in 3T3 cells using [3H]5-HT as radioligand


J Med Chem 46: 1273-6 (2003)

Checked by Author
Article DOI: 10.1021/jm021085c
BindingDB Entry DOI: 10.7270/Q20G3MCZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50090528
PNG
(4-Amino-N-(2,6-bis-dimethylamino-pyrimidin-4-yl)-b...)
Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1
Show InChI InChI=1S/C12H16N6O2S/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18)
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<1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche

Curated by ChEMBL


Assay Description
Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 7 receptor expressed in CHO cells using [3H]LSD as radioligand


J Med Chem 46: 1273-6 (2003)

Checked by Author
Article DOI: 10.1021/jm021085c
BindingDB Entry DOI: 10.7270/Q20G3MCZ
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50178569
PNG
(CHEMBL382989 | biphenyl-2-carboxylic acid 3,5-bis-...)
Show SMILES FC(F)(F)c1cc(CNC(=O)c2ccccc2-c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C22H15F6NO/c23-21(24,25)16-10-14(11-17(12-16)22(26,27)28)13-29-20(30)19-9-5-4-8-18(19)15-6-2-1-3-7-15/h1-12H,13H2,(H,29,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50001523
PNG
(CHEMBL23575)
Show SMILES CNc1cc(cc(Br)n1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C12H12BrN3O2S/c1-15-12-7-10(6-11(13)16-12)19(17,18)9-4-2-8(14)3-5-9/h2-7H,14H2,1H3,(H,15,16)
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<1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche

Curated by ChEMBL


Assay Description
Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 1D receptor expressed in HEK 293 cells using [3H]LSD as radioligand


J Med Chem 46: 1273-6 (2003)

Checked by Author
Article DOI: 10.1021/jm021085c
BindingDB Entry DOI: 10.7270/Q20G3MCZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50090528
PNG
(4-Amino-N-(2,6-bis-dimethylamino-pyrimidin-4-yl)-b...)
Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1
Show InChI InChI=1S/C12H16N6O2S/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18)
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<1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche

Curated by ChEMBL


Assay Description
Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 2C receptor expressed in 3T3 cells using [3H]5-HT as radioligand


J Med Chem 46: 1273-6 (2003)

Checked by Author
Article DOI: 10.1021/jm021085c
BindingDB Entry DOI: 10.7270/Q20G3MCZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50001524
PNG
(CHEMBL24474)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCNCC1
Show InChI InChI=1S/C15H17BrN4O2S/c16-14-9-13(10-15(19-14)20-7-5-18-6-8-20)23(21,22)12-3-1-11(17)2-4-12/h1-4,9-10,18H,5-8,17H2
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<1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche

Curated by ChEMBL


Assay Description
Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 7 receptor expressed in CHO cells using [3H]LSD as radioligand


J Med Chem 46: 1273-6 (2003)

Checked by Author
Article DOI: 10.1021/jm021085c
BindingDB Entry DOI: 10.7270/Q20G3MCZ
More data for this
Ligand-Target Pair
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