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Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with Target = 'Mas-related G-protein coupled receptor member X1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340753
PNG
(2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)pip...)
Show SMILES Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N(CCCN3CCOCC3)Cc3c(Cl)cncc3Cl)CC2)cc1
Show InChI InChI=1S/C31H39Cl3N8O2/c32-25-4-2-24(3-5-25)6-8-36-31-37-9-7-29(38-31)41-14-12-40(13-15-41)23-30(43)42(11-1-10-39-16-18-44-19-17-39)22-26-27(33)20-35-21-28(26)34/h2-5,7,9,20-21H,1,6,8,10-19,22-23H2,(H,36,37,38)
KEGG

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n/an/a 14n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340743
PNG
(2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)pip...)
Show SMILES Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N(Cc3ccco3)Cc3ccncc3)CC2)cc1
Show InChI InChI=1S/C29H32ClN7O2/c30-25-5-3-23(4-6-25)9-13-32-29-33-14-10-27(34-29)36-17-15-35(16-18-36)22-28(38)37(21-26-2-1-19-39-26)20-24-7-11-31-12-8-24/h1-8,10-12,14,19H,9,13,15-18,20-22H2,(H,32,33,34)
KEGG

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n/an/a 20n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340744
PNG
(CHEMBL1762699 | N-benzyl-2-(4-(2-(4-chlorophenethy...)
Show SMILES Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N(Cc3ccccc3)Cc3ccncc3)CC2)cc1
Show InChI InChI=1S/C31H34ClN7O/c32-28-8-6-25(7-9-28)12-16-34-31-35-17-13-29(36-31)38-20-18-37(19-21-38)24-30(40)39(22-26-4-2-1-3-5-26)23-27-10-14-33-15-11-27/h1-11,13-15,17H,12,16,18-24H2,(H,34,35,36)
KEGG

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n/an/a 22n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340745
PNG
(2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)pip...)
Show SMILES Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N(Cc3ccncc3)Cc3c(Cl)cncc3Cl)CC2)cc1
Show InChI InChI=1S/C30H31Cl3N8O/c31-24-3-1-22(2-4-24)7-11-36-30-37-12-8-28(38-30)40-15-13-39(14-16-40)21-29(42)41(19-23-5-9-34-10-6-23)20-25-26(32)17-35-18-27(25)33/h1-6,8-10,12,17-18H,7,11,13-16,19-21H2,(H,36,37,38)
KEGG

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n/an/a 24n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340746
PNG
(2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)pip...)
Show SMILES Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N(CC3CCCO3)Cc3ccncc3)CC2)cc1
Show InChI InChI=1S/C29H36ClN7O2/c30-25-5-3-23(4-6-25)9-13-32-29-33-14-10-27(34-29)36-17-15-35(16-18-36)22-28(38)37(21-26-2-1-19-39-26)20-24-7-11-31-12-8-24/h3-8,10-12,14,26H,1-2,9,13,15-22H2,(H,32,33,34)
KEGG

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n/an/a 40n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340750
PNG
(2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)pip...)
Show SMILES CCN(Cc1c(Cl)cncc1Cl)C(=O)CN1CCN(CC1)c1ccnc(NCCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C26H30Cl3N7O/c1-2-35(17-21-22(28)15-30-16-23(21)29)25(37)18-34-11-13-36(14-12-34)24-8-10-32-26(33-24)31-9-7-19-3-5-20(27)6-4-19/h3-6,8,10,15-16H,2,7,9,11-14,17-18H2,1H3,(H,31,32,33)
KEGG

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n/an/a 77n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340747
PNG
(2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)pip...)
Show SMILES COCCCN(Cc1ccncc1)C(=O)CN1CCN(CC1)c1ccnc(NCCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C28H36ClN7O2/c1-38-20-2-15-36(21-24-7-11-30-12-8-24)27(37)22-34-16-18-35(19-17-34)26-10-14-32-28(33-26)31-13-9-23-3-5-25(29)6-4-23/h3-8,10-12,14H,2,9,13,15-22H2,1H3,(H,31,32,33)
KEGG

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n/an/a 88n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340751
PNG
(CHEMBL1762705 | N-((3-bromopyridin-4-yl)methyl)-2-...)
Show SMILES CCN(Cc1ccncc1Br)C(=O)CN1CCN(CC1)c1ccnc(NCCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C26H31BrClN7O/c1-2-34(18-21-8-10-29-17-23(21)27)25(36)19-33-13-15-35(16-14-33)24-9-12-31-26(32-24)30-11-7-20-3-5-22(28)6-4-20/h3-6,8-10,12,17H,2,7,11,13-16,18-19H2,1H3,(H,30,31,32)
KEGG

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n/an/a 108n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340748
PNG
(2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)pip...)
Show SMILES CCN(Cc1ccncc1)C(=O)CN1CCN(CC1)c1ccnc(NCCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C26H32ClN7O/c1-2-33(19-22-7-11-28-12-8-22)25(35)20-32-15-17-34(18-16-32)24-10-14-30-26(31-24)29-13-9-21-3-5-23(27)6-4-21/h3-8,10-12,14H,2,9,13,15-20H2,1H3,(H,29,30,31)
KEGG

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n/an/a 244n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340749
PNG
(2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)pip...)
Show SMILES Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N(CC3CC3)Cc3ccncc3)CC2)cc1
Show InChI InChI=1S/C28H34ClN7O/c29-25-5-3-22(4-6-25)9-13-31-28-32-14-10-26(33-28)35-17-15-34(16-18-35)21-27(37)36(19-23-1-2-23)20-24-7-11-30-12-8-24/h3-8,10-12,14,23H,1-2,9,13,15-21H2,(H,31,32,33)
KEGG

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n/an/a 295n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340741
PNG
(4-(2-(2-(4-chlorophenethylamino)pyrimidin-4-ylamin...)
Show SMILES NS(=O)(=O)c1ccc(CCNc2ccnc(NCCc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C20H22ClN5O2S/c21-17-5-1-15(2-6-17)10-13-24-20-25-14-11-19(26-20)23-12-9-16-3-7-18(8-4-16)29(22,27)28/h1-8,11,14H,9-10,12-13H2,(H2,22,27,28)(H2,23,24,25,26)
KEGG

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n/an/a 301n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340752
PNG
(CHEMBL1762706 | N-benzyl-2-(4-(2-(4-chlorophenethy...)
Show SMILES CCN(Cc1ccccc1)C(=O)CN1CCN(CC1)c1ccnc(NCCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C27H33ClN6O/c1-2-33(20-23-6-4-3-5-7-23)26(35)21-32-16-18-34(19-17-32)25-13-15-30-27(31-25)29-14-12-22-8-10-24(28)11-9-22/h3-11,13,15H,2,12,14,16-21H2,1H3,(H,29,30,31)
KEGG

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n/an/a 330n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340738
PNG
(1-(2-(4-chlorophenethylamino)-4-(pyrrolidin-1-yl)q...)
Show SMILES CC(CN(C)C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2nc(NCCc3ccc(Cl)cc3)nc(N3CCCC3)c2c1
Show InChI InChI=1S/C31H42ClN7O3S/c1-22(21-37(2)3)34-30(40)24-13-18-39(19-14-24)43(41,42)26-10-11-28-27(20-26)29(38-16-4-5-17-38)36-31(35-28)33-15-12-23-6-8-25(32)9-7-23/h6-11,20,22,24H,4-5,12-19,21H2,1-3H3,(H,34,40)(H,33,35,36)
KEGG

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n/an/a 530n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340740
PNG
(4-(2-(2-(4-chlorophenethylamino)quinazolin-4-ylami...)
Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(NCCc3ccc(Cl)cc3)nc3ccccc23)cc1
Show InChI InChI=1S/C24H24ClN5O2S/c25-19-9-5-17(6-10-19)14-16-28-24-29-22-4-2-1-3-21(22)23(30-24)27-15-13-18-7-11-20(12-8-18)33(26,31)32/h1-12H,13-16H2,(H2,26,31,32)(H2,27,28,29,30)
KEGG

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n/an/a 640n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340742
PNG
(2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)pip...)
Show SMILES Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N3CCCCC3)CC2)cc1
Show InChI InChI=1S/C23H31ClN6O/c24-20-6-4-19(5-7-20)8-10-25-23-26-11-9-21(27-23)29-16-14-28(15-17-29)18-22(31)30-12-2-1-3-13-30/h4-7,9,11H,1-3,8,10,12-18H2,(H,25,26,27)
KEGG

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n/an/a 758n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340739
PNG
(CHEMBL1762694 | N-(4-chlorophenethyl)-4-(pyrrolidi...)
Show SMILES Clc1ccc(CCNc2nc(N3CCCC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C20H21ClN4/c21-16-9-7-15(8-10-16)11-12-22-20-23-18-6-2-1-5-17(18)19(24-20)25-13-3-4-14-25/h1-2,5-10H,3-4,11-14H2,(H,22,23,24)
KEGG

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n/an/a 8.06E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412995
PNG
(CHEMBL477431)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C27H26ClN5O2S/c1-18-21(17-33-27(35)25(28)23(16-30-33)32-13-11-29-12-14-32)4-2-5-22(18)31-26(34)20-9-7-19(8-10-20)24-6-3-15-36-24/h2-10,15-16,29H,11-14,17H2,1H3,(H,31,34)
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n/an/an/an/a 589n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412996
PNG
(CHEMBL477432)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C27H26ClN5O2S/c1-18-21(16-33-27(35)25(28)24(15-30-33)32-12-10-29-11-13-32)3-2-4-23(18)31-26(34)20-7-5-19(6-8-20)22-9-14-36-17-22/h2-9,14-15,17,29H,10-13,16H2,1H3,(H,31,34)
KEGG

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n/an/an/an/a 145n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412997
PNG
(CHEMBL477643)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1cccc(c1)-c1cccs1
Show InChI InChI=1S/C27H26ClN5O2S/c1-18-21(17-33-27(35)25(28)23(16-30-33)32-12-10-29-11-13-32)7-3-8-22(18)31-26(34)20-6-2-5-19(15-20)24-9-4-14-36-24/h2-9,14-16,29H,10-13,17H2,1H3,(H,31,34)
KEGG

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n/an/an/an/a 8.13E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412998
PNG
(CHEMBL476619)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1cccc(c1)-c1ccsc1
Show InChI InChI=1S/C27H26ClN5O2S/c1-18-21(16-33-27(35)25(28)24(15-30-33)32-11-9-29-10-12-32)6-3-7-23(18)31-26(34)20-5-2-4-19(14-20)22-8-13-36-17-22/h2-8,13-15,17,29H,9-12,16H2,1H3,(H,31,34)
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n/an/an/an/a 4.17E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412999
PNG
(CHEMBL449189)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccc2ncccc2c1
Show InChI InChI=1S/C32H29ClN6O2/c1-21-26(20-39-32(41)30(33)29(19-36-39)38-16-14-34-15-17-38)4-2-6-27(21)37-31(40)23-9-7-22(8-10-23)24-11-12-28-25(18-24)5-3-13-35-28/h2-13,18-19,34H,14-17,20H2,1H3,(H,37,40)
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n/an/an/an/a 132n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50413000
PNG
(CHEMBL451657)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1cccc2cccnc12
Show InChI InChI=1S/C32H29ClN6O2/c1-21-25(20-39-32(41)29(33)28(19-36-39)38-17-15-34-16-18-38)6-3-9-27(21)37-31(40)24-12-10-22(11-13-24)26-8-2-5-23-7-4-14-35-30(23)26/h2-14,19,34H,15-18,20H2,1H3,(H,37,40)
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n/an/an/an/a 288n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50413001
PNG
(CHEMBL474272)
Show SMILES CN(C)c1cccc(c1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1C
Show InChI InChI=1S/C31H33ClN6O2/c1-21-25(20-38-31(40)29(32)28(19-34-38)37-16-14-33-15-17-37)7-5-9-27(21)35-30(39)23-12-10-22(11-13-23)24-6-4-8-26(18-24)36(2)3/h4-13,18-19,33H,14-17,20H2,1-3H3,(H,35,39)
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n/an/an/an/a 398n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412989
PNG
(CHEMBL474473)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1C
Show InChI InChI=1S/C29H29ClN6O3/c1-19-23(18-36-29(38)27(30)25(17-33-36)35-14-12-31-13-15-35)4-3-5-24(19)34-28(37)21-8-6-20(7-9-21)22-10-11-26(39-2)32-16-22/h3-11,16-17,31H,12-15,18H2,1-2H3,(H,34,37)
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n/an/an/an/a 24n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412986
PNG
(CHEMBL474474)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C30H29ClN6O3/c1-19-24(18-37-30(40)27(31)26(17-34-37)36-14-12-33-13-15-36)6-3-7-25(19)35-29(39)21-10-8-20(9-11-21)22-4-2-5-23(16-22)28(32)38/h2-11,16-17,33H,12-15,18H2,1H3,(H2,32,38)(H,35,39)
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n/an/an/an/a 52n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50413002
PNG
(CHEMBL475077)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCCNCC3)c(Cl)c2=O)c1C
Show InChI InChI=1S/C30H31ClN6O3/c1-20-24(19-37-30(39)28(31)26(18-34-37)36-15-4-13-32-14-16-36)5-3-6-25(20)35-29(38)22-9-7-21(8-10-22)23-11-12-27(40-2)33-17-23/h3,5-12,17-18,32H,4,13-16,19H2,1-2H3,(H,35,38)
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n/an/an/an/a 81n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50413003
PNG
(CHEMBL475282)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCN(C)CC3)c(Cl)c2=O)c1C
Show InChI InChI=1S/C30H31ClN6O3/c1-20-24(19-37-30(39)28(31)26(18-33-37)36-15-13-35(2)14-16-36)5-4-6-25(20)34-29(38)22-9-7-21(8-10-22)23-11-12-27(40-3)32-17-23/h4-12,17-18H,13-16,19H2,1-3H3,(H,34,38)
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n/an/an/an/a 123n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50413004
PNG
(CHEMBL448975)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3C[C@H]4C[C@H]3CN4C)c(Cl)c2=O)c1C
Show InChI InChI=1S/C31H31ClN6O3/c1-19-23(16-38-31(40)29(32)27(15-34-38)37-18-24-13-25(37)17-36(24)2)5-4-6-26(19)35-30(39)21-9-7-20(8-10-21)22-11-12-28(41-3)33-14-22/h4-12,14-15,24-25H,13,16-18H2,1-3H3,(H,35,39)/t24-,25+/m1/s1
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n/an/an/an/a 107n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50413005
PNG
(CHEMBL476627)
Show SMILES CNCCNc1cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccc(OC)nc3)c2C)c(=O)c1Cl
Show InChI InChI=1S/C28H29ClN6O3/c1-18-22(17-35-28(37)26(29)24(16-33-35)31-14-13-30-2)5-4-6-23(18)34-27(36)20-9-7-19(8-10-20)21-11-12-25(38-3)32-15-21/h4-12,15-16,30-31H,13-14,17H2,1-3H3,(H,34,36)
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n/an/an/an/a 295n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50413006
PNG
(CHEMBL450183)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CC(C)NC(C)C3)c(Cl)c2=O)c1C
Show InChI InChI=1S/C31H33ClN6O3/c1-19-16-37(17-20(2)35-19)27-15-34-38(31(40)29(27)32)18-25-6-5-7-26(21(25)3)36-30(39)23-10-8-22(9-11-23)24-12-13-28(41-4)33-14-24/h5-15,19-20,35H,16-18H2,1-4H3,(H,36,39)
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n/an/an/an/a 5.75E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50413007
PNG
(CHEMBL500240)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCNC(C3)C(N)=O)c(Cl)c2=O)c1C
Show InChI InChI=1S/C30H30ClN7O4/c1-18-22(16-38-30(41)27(31)25(15-35-38)37-13-12-33-24(17-37)28(32)39)4-3-5-23(18)36-29(40)20-8-6-19(7-9-20)21-10-11-26(42-2)34-14-21/h3-11,14-15,24,33H,12-13,16-17H2,1-2H3,(H2,32,39)(H,36,40)
KEGG

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n/an/an/an/a 7.08E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50413008
PNG
(CHEMBL474470)
Show SMILES CNC1CCN(C1)c1cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccc(OC)nc3)c2C)c(=O)c1Cl
Show InChI InChI=1S/C30H31ClN6O3/c1-19-23(17-37-30(39)28(31)26(16-34-37)36-14-13-24(18-36)32-2)5-4-6-25(19)35-29(38)21-9-7-20(8-10-21)22-11-12-27(40-3)33-15-22/h4-12,15-16,24,32H,13-14,17-18H2,1-3H3,(H,35,38)
KEGG

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n/an/an/an/a 2.14E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50413009
PNG
(CHEMBL499944)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCN(CC3)C(C)=O)c(Cl)c2=O)c1C
Show InChI InChI=1S/C31H31ClN6O4/c1-20-25(19-38-31(41)29(32)27(18-34-38)37-15-13-36(14-16-37)21(2)39)5-4-6-26(20)35-30(40)23-9-7-22(8-10-23)24-11-12-28(42-3)33-17-24/h4-12,17-18H,13-16,19H2,1-3H3,(H,35,40)
KEGG

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n/an/an/an/a 3.24E+4n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412987
PNG
(CHEMBL475965)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C
Show InChI InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)
KEGG

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n/an/an/an/a 6.30n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412988
PNG
(CHEMBL477008)
Show SMILES Cc1c(Cn2ncc(cc2=O)N2CCNCC2)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H29N5O2/c1-21-25(20-34-28(35)18-26(19-31-34)33-16-14-30-15-17-33)8-5-9-27(21)32-29(36)24-12-10-23(11-13-24)22-6-3-2-4-7-22/h2-13,18-19,30H,14-17,20H2,1H3,(H,32,36)
KEGG

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n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412994
PNG
(CHEMBL517029)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)C1CCN(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H32ClN7O2/c1-20-23(19-37-29(39)27(30)26(18-33-37)36-15-11-32-12-16-36)3-2-4-25(20)34-28(38)22-9-13-35(14-10-22)24-7-5-21(17-31)6-8-24/h2-8,18,22,32H,9-16,19H2,1H3,(H,34,38)
KEGG

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n/an/an/an/a 2.69E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412993
PNG
(CHEMBL457789)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H30ClN5O2/c1-21-24(20-36-30(38)28(31)26(19-33-36)35-17-15-32-16-18-35)13-8-14-25(21)34-29(37)27(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,19,27,32H,15-18,20H2,1H3,(H,34,37)
KEGG

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n/an/an/an/a 1.10E+4n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412992
PNG
(CHEMBL457788)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1cccnc1
Show InChI InChI=1S/C22H23ClN6O2/c1-15-17(4-2-6-18(15)27-21(30)16-5-3-7-25-12-16)14-29-22(31)20(23)19(13-26-29)28-10-8-24-9-11-28/h2-7,12-13,24H,8-11,14H2,1H3,(H,27,30)
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n/an/an/an/a 2.00E+4n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412991
PNG
(CHEMBL514267)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccccc1F
Show InChI InChI=1S/C23H23ClFN5O2/c1-15-16(5-4-8-19(15)28-22(31)17-6-2-3-7-18(17)25)14-30-23(32)21(24)20(13-27-30)29-11-9-26-10-12-29/h2-8,13,26H,9-12,14H2,1H3,(H,28,31)
KEGG

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n/an/an/an/a 2.09E+4n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412990
PNG
(CHEMBL456481)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)C1CCCCC1
Show InChI InChI=1S/C23H30ClN5O2/c1-16-18(8-5-9-19(16)27-22(30)17-6-3-2-4-7-17)15-29-23(31)21(24)20(14-26-29)28-12-10-25-11-13-28/h5,8-9,14,17,25H,2-4,6-7,10-13,15H2,1H3,(H,27,30)
KEGG

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n/an/an/an/a 2.63E+4n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412985
PNG
(CHEMBL458220)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)
KEGG

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n/an/an/an/a 126n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412984
PNG
(CHEMBL458002)
Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)
KEGG

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n/an/an/an/a 4.07E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412983
PNG
(CHEMBL458001)
Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)
KEGG

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n/an/an/an/a 8.32E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50413339
PNG
(CHEMBL502132)
Show SMILES CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(NCCCN(C)C)cc2-c2nc3cc(ccc3n12)C(=O)NCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C33H37F3N6O2/c1-5-20(2)29-32(44)40-26-12-11-24(37-14-7-15-41(3)4)18-25(26)30-39-27-17-22(10-13-28(27)42(29)30)31(43)38-19-21-8-6-9-23(16-21)33(34,35)36/h6,8-13,16-18,20,29,37H,5,7,14-15,19H2,1-4H3,(H,38,43)(H,40,44)/t20-,29-/m1/s1
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n/an/an/an/a 63.1n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor


Bioorg Med Chem Lett 19: 1729-32 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50413334
PNG
(CHEMBL505263)
Show SMILES CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(ccc3n12)C(=O)NCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C35H39F3N6O2/c1-3-22(2)31-34(46)42-28-12-11-26(39-14-17-43-15-5-4-6-16-43)20-27(28)32-41-29-19-24(10-13-30(29)44(31)32)33(45)40-21-23-8-7-9-25(18-23)35(36,37)38/h7-13,18-20,22,31,39H,3-6,14-17,21H2,1-2H3,(H,40,45)(H,42,46)/t22-,31-/m1/s1
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n/an/an/an/a 200n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor


Bioorg Med Chem Lett 19: 1729-32 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50413336
PNG
(CHEMBL503202)
Show SMILES CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(cc2-c2nc3cc(ccc3n12)C(=O)NCc1cccc(c1)C(F)(F)F)N1CC[C@@H](C1)NC(C)=O
Show InChI InChI=1S/C34H35F3N6O3/c1-4-19(2)30-33(46)41-27-10-9-25(42-13-12-24(18-42)39-20(3)44)16-26(27)31-40-28-15-22(8-11-29(28)43(30)31)32(45)38-17-21-6-5-7-23(14-21)34(35,36)37/h5-11,14-16,19,24,30H,4,12-13,17-18H2,1-3H3,(H,38,45)(H,39,44)(H,41,46)/t19-,24+,30-/m1/s1
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n/an/an/an/a 316n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor


Bioorg Med Chem Lett 19: 1729-32 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50413342
PNG
(CHEMBL466116)
Show SMILES CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(NCCOCCOCCN)cc2-c2nc3cc(ccc3n12)C(=O)NCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C34H39F3N6O4/c1-3-21(2)30-33(45)42-27-9-8-25(39-12-14-47-16-15-46-13-11-38)19-26(27)31-41-28-18-23(7-10-29(28)43(30)31)32(44)40-20-22-5-4-6-24(17-22)34(35,36)37/h4-10,17-19,21,30,39H,3,11-16,20,38H2,1-2H3,(H,40,44)(H,42,45)/t21-,30-/m1/s1
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n/an/an/an/a 316n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor


Bioorg Med Chem Lett 19: 1729-32 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50413338
PNG
(CHEMBL501027)
Show SMILES CC(C)C1C(=O)Nc2ccc(NCCCN(C)C)cc2-c2nc3cc(ccc3n12)C(=O)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C34H40FN7O2/c1-22(2)31-33(43)38-28-12-9-25(36-14-5-15-39(3)4)21-27(28)32-37-29-20-23(6-13-30(29)42(31)32)34(44)41-18-16-40(17-19-41)26-10-7-24(35)8-11-26/h6-13,20-22,31,36H,5,14-19H2,1-4H3,(H,38,43)
KEGG

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n/an/an/an/a 631n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor


Bioorg Med Chem Lett 19: 1729-32 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50413337
PNG
(BAM-22 | CHEMBL506128)
Show SMILES CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(O)=O)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCSC)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C130H184N38O31S2/c1-70(2)108(167-118(191)88(28-16-52-144-129(138)139)157-112(185)86(26-14-50-142-127(134)135)156-116(189)91(47-55-200-3)159-119(192)95(58-71-19-6-5-7-20-71)153-103(174)67-148-102(173)66-149-109(182)82(132)57-72-31-37-77(169)38-32-72)125(198)150-68-104(175)152-93(29-17-53-145-130(140)141)126(199)168-54-18-30-100(168)124(197)161-90(44-46-105(176)177)115(188)164-98(62-76-65-147-84-24-11-9-22-81(76)84)122(195)165-97(61-75-64-146-83-23-10-8-21-80(75)83)121(194)160-92(48-56-201-4)117(190)166-99(63-106(178)179)123(196)163-96(60-74-35-41-79(171)42-36-74)120(193)158-89(43-45-101(133)172)114(187)154-85(25-12-13-49-131)111(184)155-87(27-15-51-143-128(136)137)113(186)162-94(110(183)151-69-107(180)181)59-73-33-39-78(170)40-34-73/h5-11,19-24,31-42,64-65,70,82,85-100,108,146-147,169-171H,12-18,25-30,43-63,66-69,131-132H2,1-4H3,(H2,133,172)(H,148,173)(H,149,182)(H,150,198)(H,151,183)(H,152,175)(H,153,174)(H,154,187)(H,155,184)(H,156,189)(H,157,185)(H,158,193)(H,159,192)(H,160,194)(H,161,197)(H,162,186)(H,163,196)(H,164,188)(H,165,195)(H,166,190)(H,167,191)(H,176,177)(H,178,179)(H,180,181)(H4,134,135,142)(H4,136,137,143)(H4,138,139,144)(H4,140,141,145)
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n/an/an/an/a 794n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor


Bioorg Med Chem Lett 19: 1729-32 (2009)

More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50413010
PNG
(BAM-3200 | CHEMBL506884)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C147H207N41O34S2/c1-80(2)64-113(143(221)222)186-135(213)108(67-83-26-11-8-12-27-83)172-119(196)78-166-117(194)76-168-125(203)106(68-85-40-46-90(190)47-41-85)181-128(206)99(34-20-58-160-145(153)154)174-126(204)97(32-17-18-56-148)173-129(207)101(50-52-115(150)192)177-136(214)109(69-86-42-48-91(191)49-43-86)182-139(217)112(72-122(200)201)185-132(210)104(55-63-224-6)179-137(215)110(70-87-73-163-95-30-15-13-28-92(87)95)184-138(216)111(71-88-74-164-96-31-16-14-29-93(88)96)183-130(208)102(51-53-121(198)199)180-140(218)114-37-23-61-188(114)142(220)105(36-22-60-162-147(157)158)170-120(197)79-169-141(219)123(81(3)4)187-133(211)100(35-21-59-161-146(155)156)176-127(205)98(33-19-57-159-144(151)152)175-131(209)103(54-62-223-5)178-134(212)107(66-82-24-9-7-10-25-82)171-118(195)77-165-116(193)75-167-124(202)94(149)65-84-38-44-89(189)45-39-84/h7-16,24-31,38-49,73-74,80-81,94,97-114,123,163-164,189-191H,17-23,32-37,50-72,75-79,148-149H2,1-6H3,(H2,150,192)(H,165,193)(H,166,194)(H,167,202)(H,168,203)(H,169,219)(H,170,197)(H,171,195)(H,172,196)(H,173,207)(H,174,204)(H,175,209)(H,176,205)(H,177,214)(H,178,212)(H,179,215)(H,180,218)(H,181,206)(H,182,217)(H,183,208)(H,184,216)(H,185,210)(H,186,213)(H,187,211)(H,198,199)(H,200,201)(H,221,222)(H4,151,152,159)(H4,153,154,160)(H4,155,156,161)(H4,157,158,162)/t94-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,123-/m0/s1
KEGG

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n/an/an/an/a 794n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


J Med Chem 52: 818-25 (2009)

More data for this
Ligand-Target Pair
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