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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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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)
KEGG

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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


Citation and Details
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


Citation and Details
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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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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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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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


Citation and Details
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


Citation and Details
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


Citation and Details
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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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


Citation and Details
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


Citation and Details
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)
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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


Citation and Details
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)
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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


Citation and Details
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)
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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


Citation and Details
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)
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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


Citation and Details
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)
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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


Citation and Details
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)
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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


Citation and Details
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)
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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


Citation and Details
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


Citation and Details
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)
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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


Citation and Details
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)
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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


Citation and Details
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)
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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


Citation and Details
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)
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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


Citation and Details
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)
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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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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)
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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


Citation and Details
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


Citation and Details
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
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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


Citation and Details
More data for this
Ligand-Target Pair
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