Found 121 hits of ec50 data for polymerid = 50004094 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50412987
(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) | PDB
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| n/a | n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50605928
(CHEMBL5195160)Show SMILES CCOc1ccc(F)cc1NC(=O)c1cc(F)ccc1NS(=O)(=O)C1CC1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50605927
(CHEMBL5172913)Show SMILES CCOc1ccc(F)cc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50412988
(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) | PDB
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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 |
J Med Chem 52: 818-25 (2009)
Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50412989
(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) | PDB
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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 |
J Med Chem 52: 818-25 (2009)
Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50412987
(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) | PDB
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Johns Hopkins University
Curated by ChEMBL
| Assay Description
Agonist activity at human MrgX1 transfected in HEK293 cells by FLIPR assay |
Bioorg Med Chem 22: 5831-7 (2014)
Article DOI: 10.1016/j.bmc.2014.09.025
BindingDB Entry DOI: 10.7270/Q27P92CV |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50605956
(CHEMBL5205606)Show SMILES CCOc1ccc(F)cc1NC(=O)c1cc(F)ccc1NS(=O)(=O)CC | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM224021
(BAM8-22 | VGRPEWWMDYQKRYG)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](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(O)=O |r| | PDB
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Johns Hopkins University
Curated by ChEMBL
| Assay Description
Agonist activity at human MrgX1 transfected in HEK293 cells by FLIPR assay |
Bioorg Med Chem 22: 5831-7 (2014)
Article DOI: 10.1016/j.bmc.2014.09.025
BindingDB Entry DOI: 10.7270/Q27P92CV |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50509101
(CHEMBL4460098)Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc2c(N)nccc2c1 Show InChI InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25) | PDB
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Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human MrgprX1 expressed in HEK293 cells incubated for 2 mins by Fluo4AM dye based FLIPR assay |
J Med Chem 62: 8631-8641 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01003
BindingDB Entry DOI: 10.7270/Q2125WZT |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM224021
(BAM8-22 | VGRPEWWMDYQKRYG)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](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(O)=O |r| | PDB
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Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human MrgprX1 |
J Med Chem 62: 8631-8641 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01003
BindingDB Entry DOI: 10.7270/Q2125WZT |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50412986
(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) | PDB
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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 |
J Med Chem 52: 818-25 (2009)
Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50605947
(CHEMBL5202767)Show SMILES CCOc1ccccc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)C1CC1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50605952
(CHEMBL5185447)Show SMILES CCOc1ccc(F)cc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)C1CC1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50413339
(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 |r,@:16,40| 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 | PDB
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ACADIA Pharmaceuticals AB
Curated by ChEMBL
| Assay Description
Agonist activity at human MrgX1 receptor |
Bioorg Med Chem Lett 19: 1729-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.085
BindingDB Entry DOI: 10.7270/Q29S1S8T |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50605954
(CHEMBL5194692)Show SMILES CCOc1ccc(F)cc1NC(=O)c1cc(C)ccc1NS(=O)(=O)C1CC1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50605955
(CHEMBL5177145)Show SMILES CCOc1ccc(F)cc1NC(=O)c1cc(C)ccc1NS(=O)(=O)CC | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50413002
(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) | PDB
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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 |
J Med Chem 52: 818-25 (2009)
Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50605945
(CHEMBL5171656) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50583471
(CHEMBL5084093)Show SMILES CC(C)(C)c1sc2ncnc(Oc3ccccc3OC(F)(F)F)c2c1-c1ccc(Cl)c(Cl)c1 | PDB
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TBA
| Assay Description
Positive allosteric modulator activity at human MRGPRX1 transfected in HEK293 cells in presence of BAM8-22 by Fulo4AM dye based FLIPR assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01709
BindingDB Entry DOI: 10.7270/Q2B28064 |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50509099
(CHEMBL4565294)Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H21N3O4S/c1-14-7-12-17(24-29(25,26)20-6-4-3-5-18(20)27-2)19(13-14)28-16-10-8-15(9-11-16)21(22)23/h3-13,24H,1-2H3,(H3,22,23) | PDB
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Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human MrgprX1 expressed in HEK293 cells incubated for 2 mins by Fluo4AM dye based FLIPR assay |
J Med Chem 62: 8631-8641 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01003
BindingDB Entry DOI: 10.7270/Q2125WZT |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50605941
(CHEMBL5200001)Show SMILES CCOc1ccccc1NC(=O)c1cc(C)ccc1NS(=O)(=O)C1CC1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50413004
(CHEMBL448975)Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3C[C@H]4C[C@H]3CN4C)c(Cl)c2=O)c1C |r| 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 | PDB
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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 |
J Med Chem 52: 818-25 (2009)
Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50413003
(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) | PDB
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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 |
J Med Chem 52: 818-25 (2009)
Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50605929
(CHEMBL5177388) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50412985
(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) | PDB
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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 |
J Med Chem 52: 818-25 (2009)
Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50412999
(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) | PDB
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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 |
J Med Chem 52: 818-25 (2009)
Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50412996
(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) | PDB
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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 |
J Med Chem 52: 818-25 (2009)
Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50509106
(CHEMBL4455263)Show SMILES Cc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c(Oc2ccc(cc2)C(N)=N)c1 Show InChI InChI=1S/C21H18F3N3O4S/c1-13-6-11-16(18(12-13)30-15-9-7-14(8-10-15)20(25)26)27-32(28,29)19-5-3-2-4-17(19)31-21(22,23)24/h2-12,27H,1H3,(H3,25,26) | PDB
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Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human MrgprX1 expressed in HEK293 cells incubated for 2 mins by Fluo4AM dye based FLIPR assay |
J Med Chem 62: 8631-8641 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01003
BindingDB Entry DOI: 10.7270/Q2125WZT |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50509097
(CHEMBL4541091)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(C)cc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H21N3O3S/c1-14-3-10-18(11-4-14)28(25,26)24-19-12-5-15(2)13-20(19)27-17-8-6-16(7-9-17)21(22)23/h3-13,24H,1-2H3,(H3,22,23) | PDB
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Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human MrgprX1 expressed in HEK293 cells incubated for 2 mins by Fluo4AM dye based FLIPR assay |
J Med Chem 62: 8631-8641 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01003
BindingDB Entry DOI: 10.7270/Q2125WZT |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50605944
(CHEMBL5208855)Show SMILES CCOc1ccccc1NC(=O)c1cc(F)ccc1NS(=O)(=O)C1CC1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50413334
(CHEMBL505263)Show SMILES CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(ccc3n12)C(=O)NCc1cccc(c1)C(F)(F)F |r,@:42,@@:15| 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 | PDB
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ACADIA Pharmaceuticals AB
Curated by ChEMBL
| Assay Description
Agonist activity at human MrgX1 receptor |
Bioorg Med Chem Lett 19: 1729-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.085
BindingDB Entry DOI: 10.7270/Q29S1S8T |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50605953
(CHEMBL5191110)Show SMILES CCOc1ccc(F)cc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)CC | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50605943
(CHEMBL5205025) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50583457
(CHEMBL5080027) | PDB
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TBA
| Assay Description
Positive allosteric modulator activity at human MRGPRX1 transfected in HEK293 cells in presence of BAM8-22 by Fulo4AM dye based FLIPR assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01709
BindingDB Entry DOI: 10.7270/Q2B28064 |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50583470
(CHEMBL5081104)Show SMILES CC(C)(C)c1sc2ncnc(Oc3ccccc3OC(F)(F)F)c2c1-c1ccc(F)cc1 | PDB
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TBA
| Assay Description
Positive allosteric modulator activity at human MRGPRX1 transfected in HEK293 cells in presence of BAM8-22 by Fulo4AM dye based FLIPR assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01709
BindingDB Entry DOI: 10.7270/Q2B28064 |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50605940
(CHEMBL5203677) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50413000
(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) | PDB
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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 |
J Med Chem 52: 818-25 (2009)
Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50509093
(CHEMBL4444915)Show InChI InChI=1S/C20H21N3O2S/c1-24-19-10-14(2-7-18(19)25-12-15-8-9-26-13-15)11-23-17-5-3-16(4-6-17)20(21)22/h2-10,13,23H,11-12H2,1H3,(H3,21,22) | PDB
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| n/a | n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human MrgprX1 expressed in HEK293 cells incubated for 2 mins by Fluo4AM dye based FLIPR assay |
J Med Chem 62: 8631-8641 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01003
BindingDB Entry DOI: 10.7270/Q2125WZT |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50413005
(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) | PDB
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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 |
J Med Chem 52: 818-25 (2009)
Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50509096
(CHEMBL4454684)Show InChI InChI=1S/C17H21N3O3S/c1-2-3-12-24(21,22)20-15-6-4-5-7-16(15)23-14-10-8-13(9-11-14)17(18)19/h4-11,20H,2-3,12H2,1H3,(H3,18,19) | PDB
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Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human MrgprX1 expressed in HEK293 cells incubated for 2 mins by Fluo4AM dye based FLIPR assay |
J Med Chem 62: 8631-8641 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01003
BindingDB Entry DOI: 10.7270/Q2125WZT |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50583469
(CHEMBL5076018)Show SMILES CC(C)(C)c1sc2ncnc(Oc3ccccc3F)c2c1-c1ccc(F)cc1 | PDB
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TBA
| Assay Description
Positive allosteric modulator activity at human MRGPRX1 transfected in HEK293 cells in presence of BAM8-22 by Fulo4AM dye based FLIPR assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01709
BindingDB Entry DOI: 10.7270/Q2B28064 |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50413336
(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 |r,@:33| 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 | PDB
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ACADIA Pharmaceuticals AB
Curated by ChEMBL
| Assay Description
Agonist activity at human MrgX1 receptor |
Bioorg Med Chem Lett 19: 1729-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.085
BindingDB Entry DOI: 10.7270/Q29S1S8T |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50413342
(CHEMBL466116)Show SMILES CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(NCCOCCOCCN)cc2-c2nc3cc(ccc3n12)C(=O)NCc1cccc(c1)C(F)(F)F |r,@@:43| 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 | PDB
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| n/a | n/a | n/a | n/a | 316 | n/a | n/a | n/a | n/a |
ACADIA Pharmaceuticals AB
Curated by ChEMBL
| Assay Description
Agonist activity at human MrgX1 receptor |
Bioorg Med Chem Lett 19: 1729-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.085
BindingDB Entry DOI: 10.7270/Q29S1S8T |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50583467
(CHEMBL5094111) | PDB
KEGG
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TBA
| Assay Description
Positive allosteric modulator activity at human MRGPRX1 transfected in HEK293 cells in presence of BAM8-22 by Fulo4AM dye based FLIPR assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01709
BindingDB Entry DOI: 10.7270/Q2B28064 |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50583468
(CHEMBL5092430) | PDB
KEGG
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| n/a | n/a | n/a | n/a | 340 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Positive allosteric modulator activity at human MRGPRX1 transfected in HEK293 cells in presence of BAM8-22 by Fulo4AM dye based FLIPR assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01709
BindingDB Entry DOI: 10.7270/Q2B28064 |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50605950
(CHEMBL5179980)Show SMILES CCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccccc1OCC(F)(F)F | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 366 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50605942
(CHEMBL5178316)Show SMILES Cc1ccc(NS(=O)(=O)C2CC2)c(c1)C(=O)Nc1ccccc1OCC(F)(F)F | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 369 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50413001
(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) | PDB
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UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 398 | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50605949
(CHEMBL5173653) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 407 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Mas-related G-protein coupled receptor member X1
(Homo sapiens (Human)) | BDBM50605946
(CHEMBL5190176)Show SMILES CCS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1ccccc1OCC(F)(F)F | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 435 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
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