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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Mas-related G-protein coupled receptor member X2' 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 X2


(Homo sapiens)
BDBM50413340
PNG
(CHEMBL505715)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C81H113N19O19S2/c1-46(103)67-80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(79(116)90-56(81(118)119)30-15-18-34-84)45-121-120-44-64(98-68(105)53-31-19-35-86-53)78(115)89-54(28-13-16-32-82)69(106)94-61(40-66(85)104)75(112)92-57(36-47-20-5-2-6-21-47)71(108)91-58(37-48-22-7-3-8-23-48)72(109)93-60(39-50-41-87-52-27-12-11-26-51(50)52)74(111)88-55(70(107)100-67)29-14-17-33-83/h2-12,20-27,41,46,53-65,67,86-87,101-103H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55-,56+,57+,58+,59-,60?,61+,62?,63+,64+,65+,67?/m1/s1
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n/an/an/an/a 501n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X2


(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 2.00E+3n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X2


(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 1.26E+3n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X2


(Homo sapiens)
BDBM50413344
PNG
(CHEMBL503688)
Show SMILES CC(C)C1C(=O)Nc2ccc(NCc3ccccc3)cc2-c2nc3cc(ccc3n12)C(=O)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C33H38N6O2/c1-21(2)30-32(40)36-27-12-11-24(34-20-22-8-6-5-7-9-22)19-26(27)31-35-28-18-23(10-13-29(28)39(30)31)33(41)38(4)25-14-16-37(3)17-15-25/h5-13,18-19,21,25,30,34H,14-17,20H2,1-4H3,(H,36,40)
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n/an/an/an/a 158n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X2


(Homo sapiens)
BDBM50413341
PNG
(CHEMBL502480)
Show SMILES CC(C)C1C(=O)Nc2ccc(cc2-c2nc3cc(ccc3n12)C(=O)N(C)C1CCN(C)CC1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C37H45N7O2/c1-25(2)34-36(45)39-31-12-11-29(43-20-18-42(19-21-43)24-26-8-6-5-7-9-26)23-30(31)35-38-32-22-27(10-13-33(32)44(34)35)37(46)41(4)28-14-16-40(3)17-15-28/h5-13,22-23,25,28,34H,14-21,24H2,1-4H3,(H,39,45)
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n/an/an/an/a 398n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X2


(Homo sapiens)
BDBM50413343
PNG
(CHEMBL463274)
Show SMILES CC(C)C1C(=O)Nc2ccc(NC3CCCCCC3)cc2-c2nc3cc(ccc3n12)C(=O)N1CCCN(C)CC1
Show InChI InChI=1S/C32H42N6O2/c1-21(2)29-31(39)35-26-13-12-24(33-23-9-6-4-5-7-10-23)20-25(26)30-34-27-19-22(11-14-28(27)38(29)30)32(40)37-16-8-15-36(3)17-18-37/h11-14,19-21,23,29,33H,4-10,15-18H2,1-3H3,(H,35,39)
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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 MrgX2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X2


(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 631n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX2 receptor


Citation and Details
More data for this
Ligand-Target Pair