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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 320.3
BDBM50497461Purchase		Wt: 318.3
BDBM50497462		Wt: 242.2
BDBM50583453		Wt: 256.3
BDBM50583454		Wt: 270.3
BDBM50583455
Wt: 270.3
BDBM50583456		Wt: 274.3
BDBM50583457Purchase		Wt: 274.3
BDBM50583458		Wt: 274.3
BDBM50583459		Wt: 260.2
BDBM50583465
Wt: 314.2
BDBM50583466		Wt: 302.3
BDBM50583467		Wt: 246.2
BDBM50583463		Wt: 260.2
BDBM50583464		Wt: 270.3
BDBM50583452Purchase
Displayed 1 to 15 (of 136 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 19 hits in this display   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Mas-related G-protein coupled receptor member X1


(Homo sapiens (Human))		BDBM50497461
PNG
(CHEMBL3343990)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C15H24N6O2/c16-11(7-4-8-20-15(18)19)14(23)21-12(13(17)22)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,16H2,(H2,17,22)(H,21,23)(H4,18,19,20)/t11-,12-/m0/s1
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n/an/an/an/a<1.00E+5n/an/an/an/a



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))		BDBM50583467
PNG
(CHEMBL5094111)
Show SMILES CC(C)(C)c1cc2c(Oc3ccccc3F)ncnc2s1
PDB

KEGG

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n/an/an/an/a 320n/an/an/an/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


(Rattus norvegicus)		BDBM50497461
PNG
(CHEMBL3343990)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C15H24N6O2/c16-11(7-4-8-20-15(18)19)14(23)21-12(13(17)22)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,16H2,(H2,17,22)(H,21,23)(H4,18,19,20)/t11-,12-/m0/s1
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n/an/an/an/a 6.31E+3n/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Agonist activity at rat 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


(Rattus norvegicus)		BDBM50497462
PNG
(CHEMBL3343987)
Show SMILES NC(=N)N[C@@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C15H22N6O2/c16-13(22)11(6-9-4-2-1-3-5-9)21-14(23)12-7-10(8-19-12)20-15(17)18/h1-5,10-12,19H,6-8H2,(H2,16,22)(H,21,23)(H4,17,18,20)/t10-,11-,12-/m0/s1
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n/an/an/an/a<1.00E+5n/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Agonist activity at rat 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


(Mus musculus)		BDBM50497461
PNG
(CHEMBL3343990)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C15H24N6O2/c16-11(7-4-8-20-15(18)19)14(23)21-12(13(17)22)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,16H2,(H2,17,22)(H,21,23)(H4,18,19,20)/t11-,12-/m0/s1
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n/an/an/an/a 501n/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Agonist activity at mouse MrgC11 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


(Mus musculus)		BDBM50497462
PNG
(CHEMBL3343987)
Show SMILES NC(=N)N[C@@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C15H22N6O2/c16-13(22)11(6-9-4-2-1-3-5-9)21-14(23)12-7-10(8-19-12)20-15(17)18/h1-5,10-12,19H,6-8H2,(H2,16,22)(H,21,23)(H4,17,18,20)/t10-,11-,12-/m0/s1
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n/an/an/an/a 7.94E+3n/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Agonist activity at mouse MrgC11 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))		BDBM50583452
PNG
(CHEMBL5078996)
Show SMILES Cc1sc2ncnc(Oc3ccccc3C)c2c1C
PDB

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n/an/an/an/a 480n/an/an/an/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))		BDBM50583453
PNG
(CHEMBL1494771)
Show SMILES Cc1ccccc1Oc1ncnc2sccc12
PDB

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n/an/an/an/a 1.45E+4n/an/an/an/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))		BDBM50583454
PNG
(CHEMBL5070279)
Show SMILES Cc1sc2ncnc(Oc3ccccc3)c2c1C
PDB

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n/an/an/an/a 1.60E+3n/an/an/an/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))		BDBM50583455
PNG
(CHEMBL5085932)
Show SMILES Cc1sc2ncnc(Oc3cccc(C)c3)c2c1C
PDB

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n/an/an/an/a 2.50E+4n/an/an/an/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))		BDBM50583456
PNG
(CHEMBL5079109)
Show SMILES Cc1sc2ncnc(Oc3ccc(C)cc3)c2c1C
PDB

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n/an/an/an/a 2.70E+3n/an/an/an/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))		BDBM50583457
PNG
(CHEMBL5080027)
Show SMILES Cc1sc2ncnc(Oc3ccccc3F)c2c1C
PDB

KEGG

UniProtKB/SwissProt

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n/an/an/an/a 220n/an/an/an/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))		BDBM50583458
PNG
(CHEMBL5077884)
Show SMILES Cc1sc2ncnc(Oc3cccc(F)c3)c2c1C
PDB

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n/an/an/an/a 3.00E+4n/an/an/an/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))		BDBM50583459
PNG
(CHEMBL5082858)
Show SMILES Cc1sc2ncnc(Oc3ccc(F)cc3)c2c1C
PDB

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n/an/an/an/a 1.10E+3n/an/an/an/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))		BDBM50583463
PNG
(CHEMBL5092269)
Show SMILES Fc1ccccc1Oc1ncnc2sccc12
PDB

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n/an/an/an/a 4.20E+3n/an/an/an/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))		BDBM50583464
PNG
(CHEMBL5075377)
Show SMILES Cc1csc2ncnc(Oc3ccccc3F)c12
PDB

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n/an/an/an/a 1.70E+3n/an/an/an/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))		BDBM50583465
PNG
(CHEMBL5078077)
Show SMILES Cc1cc2c(Oc3ccccc3F)ncnc2s1
PDB

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n/an/an/an/a 1.50E+3n/an/an/an/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))		BDBM50583466
PNG
(CHEMBL5077100)
Show SMILES Fc1ccccc1Oc1ncnc2scc(c12)C(F)(F)F
PDB

KEGG

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n/an/an/an/a 2.10E+3n/an/an/an/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))		BDBM50497462
PNG
(CHEMBL3343987)
Show SMILES NC(=N)N[C@@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C15H22N6O2/c16-13(22)11(6-9-4-2-1-3-5-9)21-14(23)12-7-10(8-19-12)20-15(17)18/h1-5,10-12,19H,6-8H2,(H2,16,22)(H,21,23)(H4,17,18,20)/t10-,11-,12-/m0/s1
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n/an/an/an/a<1.00E+5n/an/an/an/a



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