Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50041694   

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 X2 (Homo sapiens (Human))	BDBM50413340 (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 |r| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	501	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human MrgX2 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))	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 KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	63.1	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 X2 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human MrgX2 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))	BDBM50413335 (CHEMBL474761) Show SMILES CC(C)C1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(ccc3n12)C(=O)N1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C36H42FN7O2/c1-24(2)33-35(45)40-30-12-9-27(38-14-17-41-15-4-3-5-16-41)23-29(30)34-39-31-22-25(6-13-32(31)44(33)34)36(46)43-20-18-42(19-21-43)28-10-7-26(37)8-11-28/h6-13,22-24,33,38H,3-5,14-21H2,1-2H3,(H,40,45)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+3	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 X2 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human MrgX2 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))	BDBM50413337 (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 |(6.92,8,;7.63,7.6,;7.64,6.78,;6.93,6.35,;6.93,5.53,;6.22,5.12,;5.5,5.52,;5.5,6.35,;4.79,5.1,;4.8,4.28,;5.52,3.87,;6.18,4.36,;6.85,3.88,;6.6,3.09,;7.02,2.38,;6.61,1.66,;5.78,1.66,;5.36,2.37,;5.77,3.09,;4.08,5.52,;3.37,5.09,;3.37,4.27,;2.65,5.5,;2.65,6.32,;3.36,6.74,;4.02,6.25,;4.69,6.74,;4.44,7.52,;4.86,8.23,;4.46,8.95,;3.63,8.96,;3.21,8.25,;3.62,7.53,;1.94,5.08,;1.22,5.49,;1.22,6.32,;.51,5.07,;.51,4.24,;1.23,3.83,;1.24,3.01,;1.95,2.6,;.52,2.59,;-.21,5.48,;-.92,5.07,;-.92,4.24,;-1.64,5.47,;-1.73,6.29,;-2.54,6.46,;-2.94,5.74,;-2.39,5.14,;-2.39,4.3,;-1.67,3.89,;-3.11,3.89,;-3.82,4.31,;-3.82,5.13,;-4.53,5.55,;-4.53,6.37,;-5.25,6.79,;-5.97,6.37,;-5.25,7.61,;-3.1,3.07,;-3.82,2.65,;-4.54,3.07,;-3.82,1.83,;-4.54,1.42,;-4.54,.59,;-3.82,.18,;-5.25,.18,;-5.25,-.64,;-4.54,-1.06,;-3.83,-.64,;-4.54,-1.88,;-5.25,-2.29,;-5.97,-1.88,;-6.69,-2.29,;-7.4,-1.87,;-8.11,-2.29,;-8.12,-3.11,;-8.83,-1.87,;-3.83,-2.3,;-3.83,-3.13,;-4.55,-3.54,;-3.12,-3.54,;-2.4,-3.13,;-2.4,-2.3,;-1.68,-1.89,;-1.68,-1.07,;-.97,-.65,;-.26,-1.06,;-.97,.18,;-3.12,-4.37,;-2.41,-4.79,;-1.69,-4.37,;-2.41,-5.6,;-3.12,-6.02,;-3.84,-5.61,;-4.55,-6.02,;-5.27,-5.61,;-1.69,-6.02,;-1.69,-6.85,;-2.41,-7.26,;-.98,-7.26,;-.26,-6.85,;-.26,-6.02,;-.98,-5.62,;-.97,-4.79,;-.26,-4.38,;.46,-4.79,;.46,-5.61,;-.98,-8.09,;-.27,-8.5,;.45,-8.09,;-.28,-9.33,;.44,-9.74,;.44,-10.57,;-.28,-10.98,;1.16,-10.98,;1.15,-11.8,;1.87,-12.21,;2.58,-11.79,;1.86,-13.03,;2.57,-13.44,;1.15,-13.44,;.43,-13.03,;.43,-12.21,;-.27,-11.79,;-.99,-12.2,;-1.71,-11.8,;-.99,-13.03,;-.28,-13.44,;-5.97,.6,;-6.69,.19,;-5.97,1.42,;7.65,5.13,;7.65,4.3,;8.36,5.55,;9.08,5.14,;9.09,4.31,;9.8,3.9,;9.8,3.08,;10.51,4.32,;9.79,5.55,;9.79,6.38,;10.51,5.14,;11.22,5.56,;11.21,6.39,;11.92,6.8,;11.92,7.63,;12.63,8.04,;13.35,7.64,;14.06,8.05,;13.35,6.81,;12.64,6.39,;11.93,5.15,;11.94,4.33,;12.65,5.57,;13.37,5.17,;13.37,4.34,;14.09,3.93,;14.1,3.1,;14.81,2.69,;13.38,2.68,;14.08,5.58,;14.08,6.4,;14.79,5.16,;15.5,5.58,;15.5,6.41,;16.21,6.82,;16.2,7.65,;16.92,8.06,;16.91,8.89,;16.22,5.17,;16.22,4.35,;16.93,5.59,;17.65,5.19,;17.66,4.36,;18.37,3.95,;18.37,3.12,;19.09,2.71,;19.1,1.89,;18.38,1.47,;19.81,1.48,;18.36,5.6,;18.36,6.42,;19.08,5.19,;19.79,5.61,;19.78,6.44,;20.49,6.85,;21.21,6.45,;21.92,6.86,;21.92,7.68,;22.63,8.1,;21.2,8.09,;20.49,7.67,;20.5,5.2,;20.51,4.37,;21.21,5.62,;21.93,5.21,;22.64,5.62,;23.36,5.22,;22.64,6.45,)| 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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	794	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))	BDBM50413338 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	631	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 X2 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human MrgX2 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 X2 (Homo sapiens (Human))	BDBM50413341 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human MrgX2 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 KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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))	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 KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 X2 (Homo sapiens (Human))	BDBM50413343 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 MrgX2 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))	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 KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	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 X2 (Homo sapiens (Human))	BDBM50413344 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human MrgX2 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))	BDBM50413333 (CHEMBL504032) Show SMILES CC(C)C1C(=O)Nc2ccc(cc2-c2nc3cc(ccc3n12)C(=O)N1CCN(CC1)c1ccc(F)cc1)N1CCC(C1)NC(C)=O Show InChI InChI=1S/C35H38FN7O3/c1-21(2)32-34(45)39-29-10-9-27(42-13-12-25(20-42)37-22(3)44)19-28(29)33-38-30-18-23(4-11-31(30)43(32)33)35(46)41-16-14-40(15-17-41)26-7-5-24(36)6-8-26/h4-11,18-19,21,25,32H,12-17,20H2,1-3H3,(H,37,44)(H,39,45)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.51E+3	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