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Compile Data Set for Download or QSAR

Found 96 hits of ec50 data for polymerid = 50000944   
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
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50028696
PNG
(CHEMBL3342689)
Show SMILES Cc1[nH]c(nc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C24H28N6O3/c1-15-20(22(31)29-18(23(32)33)13-8-14-27-24(25)26)30-21(28-15)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-14H2,1H3,(H,28,30)(H,29,31)(H,32,33)(H4,25,26,27)/t18-/s2
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n/an/an/an/a 20n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity against C3AR in HMDMs assessed as increase in intracellular calcium release by Fluo-3 AM dye based FLIPR assay relative to 1 uM C3a


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50028696
PNG
(CHEMBL3342689)
Show SMILES Cc1[nH]c(nc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C24H28N6O3/c1-15-20(22(31)29-18(23(32)33)13-8-14-27-24(25)26)30-21(28-15)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-14H2,1H3,(H,28,30)(H,29,31)(H,32,33)(H4,25,26,27)/t18-/s2
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n/an/an/an/a 25n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity against C3AR in HMDMs assessed as increase in intracellular calcium release by Fluo-3 AM dye based FLIPR assay relative to 1 uM C3a


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50389001
PNG
(CHEMBL2064016)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C92H139N31O20/c1-47(2)36-66(78(132)110-46-72(126)113-67(37-48(3)4)82(136)111-49(5)76(130)119-65(88(142)143)30-19-35-105-92(100)101)120-80(134)62(26-14-15-31-93)117-85(139)71(41-74(128)129)114-73(127)45-109-77(131)61(27-16-32-102-89(94)95)115-84(138)69(39-53-43-107-59-24-12-9-21-56(53)59)121-81(135)63(28-17-33-103-90(96)97)116-79(133)64(29-18-34-104-91(98)99)118-87(141)75(50(6)124)123-86(140)70(40-54-44-108-60-25-13-10-22-57(54)60)122-83(137)68(112-51(7)125)38-52-42-106-58-23-11-8-20-55(52)58/h8-13,20-25,42-44,47-50,61-71,75,106-108,124H,14-19,26-41,45-46,93H2,1-7H3,(H,109,131)(H,110,132)(H,111,136)(H,112,125)(H,113,126)(H,114,127)(H,115,138)(H,116,133)(H,117,139)(H,118,141)(H,119,130)(H,120,134)(H,121,135)(H,122,137)(H,123,140)(H,128,129)(H,142,143)(H4,94,95,102)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t49-,50+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,75-/m0/s1
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n/an/an/an/a 25.1n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant by degranulation assay


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50388995
PNG
(CHEMBL2064019)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C93H141N31O20/c1-48(2)38-68(78(132)110-46-74(127)114-69(39-49(3)4)84(138)112-50(5)76(130)120-67(89(143)144)30-19-37-106-93(101)102)121-81(135)62(26-14-15-33-94)118-88(142)73(47-125)124-77(131)51(6)111-79(133)63(27-16-34-103-90(95)96)117-86(140)71(41-54-44-108-60-24-12-9-21-57(54)60)122-82(136)65(29-18-36-105-92(99)100)115-80(134)64(28-17-35-104-91(97)98)116-83(137)66(31-32-75(128)129)119-87(141)72(42-55-45-109-61-25-13-10-22-58(55)61)123-85(139)70(113-52(7)126)40-53-43-107-59-23-11-8-20-56(53)59/h8-13,20-25,43-45,48-51,62-73,107-109,125H,14-19,26-42,46-47,94H2,1-7H3,(H,110,132)(H,111,133)(H,112,138)(H,113,126)(H,114,127)(H,115,134)(H,116,137)(H,117,140)(H,118,142)(H,119,141)(H,120,130)(H,121,135)(H,122,136)(H,123,139)(H,124,131)(H,128,129)(H,143,144)(H4,95,96,103)(H4,97,98,104)(H4,99,100,105)(H4,101,102,106)/t50-,51-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1
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n/an/an/an/a 35.5n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant by degranulation assay


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50028697
PNG
(CHEMBL3342690)
Show SMILES Cc1c(nc(C(c2ccccc2)c2ccccc2)n1C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1/C25H30N6O3/c1-16-21(23(32)29-19(24(33)34)14-9-15-28-25(26)27)30-22(31(16)2)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,9,14-15H2,1-2H3,(H,29,32)(H,33,34)(H4,26,27,28)/t19-/s2
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n/an/an/an/a 40n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity against C3AR in HMDMs assessed as increase in intracellular calcium release by Fluo-3 AM dye based FLIPR assay relative to 1 uM C3a


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50028697
PNG
(CHEMBL3342690)
Show SMILES Cc1c(nc(C(c2ccccc2)c2ccccc2)n1C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1/C25H30N6O3/c1-16-21(23(32)29-19(24(33)34)14-9-15-28-25(26)27)30-22(31(16)2)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,9,14-15H2,1-2H3,(H,29,32)(H,33,34)(H4,26,27,28)/t19-/s2
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n/an/an/an/a 40n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity against C3AR in HMDMs assessed as increase in intracellular calcium release by Fluo-3 AM dye based FLIPR assay relative to 1 uM C3a


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50389002
PNG
(CHEMBL2064017)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C93H141N31O20/c1-47(2)37-67(78(132)110-46-73(127)114-68(38-48(3)4)83(137)112-49(5)76(130)119-66(89(143)144)31-20-36-106-93(101)102)121-81(135)62(27-15-16-32-94)116-86(140)72(42-74(128)129)120-77(131)50(6)111-79(133)63(28-17-33-103-90(95)96)117-85(139)70(40-54-44-108-60-25-13-10-22-57(54)60)122-82(136)64(29-18-34-104-91(97)98)115-80(134)65(30-19-35-105-92(99)100)118-88(142)75(51(7)125)124-87(141)71(41-55-45-109-61-26-14-11-23-58(55)61)123-84(138)69(113-52(8)126)39-53-43-107-59-24-12-9-21-56(53)59/h9-14,21-26,43-45,47-51,62-72,75,107-109,125H,15-20,27-42,46,94H2,1-8H3,(H,110,132)(H,111,133)(H,112,137)(H,113,126)(H,114,127)(H,115,134)(H,116,140)(H,117,139)(H,118,142)(H,119,130)(H,120,131)(H,121,135)(H,122,136)(H,123,138)(H,124,141)(H,128,129)(H,143,144)(H4,95,96,103)(H4,97,98,104)(H4,99,100,105)(H4,101,102,106)/t49-,50-,51+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,75-/m0/s1
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n/an/an/an/a 66.1n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant by degranulation assay


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50389004
PNG
(CHEMBL2064021)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C90H139N31O18/c1-46(2)36-66(76(128)108-44-71(124)111-67(37-47(3)4)81(133)110-48(5)73(125)116-65(86(138)139)30-19-35-104-90(99)100)118-79(131)61(26-14-15-31-91)114-84(136)70(45-122)120-74(126)49(6)109-77(129)62(27-16-32-101-87(93)94)113-82(134)68(39-52-42-106-59-24-12-9-21-55(52)59)119-80(132)63(28-17-33-102-88(95)96)112-78(130)64(29-18-34-103-89(97)98)115-85(137)72(50(7)123)121-83(135)69(40-53-43-107-60-25-13-10-22-56(53)60)117-75(127)57(92)38-51-41-105-58-23-11-8-20-54(51)58/h8-13,20-25,41-43,46-50,57,61-70,72,105-107,122-123H,14-19,26-40,44-45,91-92H2,1-7H3,(H,108,128)(H,109,129)(H,110,133)(H,111,124)(H,112,130)(H,113,134)(H,114,136)(H,115,137)(H,116,125)(H,117,127)(H,118,131)(H,119,132)(H,120,126)(H,121,135)(H,138,139)(H4,93,94,101)(H4,95,96,102)(H4,97,98,103)(H4,99,100,104)/t48-,49-,50+,57-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,72-/m0/s1
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n/an/an/an/a 81.3n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant by degranulation assay


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50028695
PNG
(CHEMBL3342688)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1c[nH]c(n1)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1/C23H26N6O3/c24-23(25)26-13-7-12-17(22(31)32)29-21(30)18-14-27-20(28-18)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,14,17,19H,7,12-13H2,(H,27,28)(H,29,30)(H,31,32)(H4,24,25,26)/t17-/s2
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n/an/an/an/a 126n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity against C3AR in HMDMs assessed as increase in intracellular calcium release by Fluo-3 AM dye based FLIPR assay relative to 1 uM C3a


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322618
PNG
((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C58H90N14O13S/c1-34(2)30-44(54(81)70(4)35(3)48(75)66-42(57(84)85)17-11-26-63-58(61)62)68-53(80)47-19-13-28-72(47)56(83)41(24-29-86-5)65-52(79)46-18-12-27-71(46)55(82)40(16-9-10-25-59)64-50(77)43(32-36-14-7-6-8-15-36)67-51(78)45(33-73)69-49(76)39(60)31-37-20-22-38(74)23-21-37/h6-8,14-15,20-23,34-35,39-47,73-74H,9-13,16-19,24-33,59-60H2,1-5H3,(H,64,77)(H,65,79)(H,66,75)(H,67,78)(H,68,80)(H,69,76)(H,84,85)(H4,61,62,63)/t35-,39+,40+,41+,42+,43+,44+,45+,46+,47+/m1/s1
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n/an/an/an/a 130n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322618
PNG
((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C58H90N14O13S/c1-34(2)30-44(54(81)70(4)35(3)48(75)66-42(57(84)85)17-11-26-63-58(61)62)68-53(80)47-19-13-28-72(47)56(83)41(24-29-86-5)65-52(79)46-18-12-27-71(46)55(82)40(16-9-10-25-59)64-50(77)43(32-36-14-7-6-8-15-36)67-51(78)45(33-73)69-49(76)39(60)31-37-20-22-38(74)23-21-37/h6-8,14-15,20-23,34-35,39-47,73-74H,9-13,16-19,24-33,59-60H2,1-5H3,(H,64,77)(H,65,79)(H,66,75)(H,67,78)(H,68,80)(H,69,76)(H,84,85)(H4,61,62,63)/t35-,39+,40+,41+,42+,43+,44+,45+,46+,47+/m1/s1
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n/an/an/an/a 130n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor in human U937 cells assessed as inhibition of intracellular calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50028695
PNG
(CHEMBL3342688)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1c[nH]c(n1)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1/C23H26N6O3/c24-23(25)26-13-7-12-17(22(31)32)29-21(30)18-14-27-20(28-18)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,14,17,19H,7,12-13H2,(H,27,28)(H,29,30)(H,31,32)(H4,24,25,26)/t17-/s2
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n/an/an/an/a 130n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity against C3AR in HMDMs assessed as increase in intracellular calcium release by Fluo-3 AM dye based FLIPR assay relative to 1 uM C3a


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50389006
PNG
(CHEMBL2064020)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C91H139N31O19/c1-47(2)36-66(76(129)108-44-73(126)112-67(37-48(3)4)81(134)110-49(5)74(127)117-65(87(140)141)30-19-35-104-91(99)100)118-79(132)61(26-14-15-31-92)115-85(138)71(45-123)121-75(128)50(6)109-77(130)62(27-16-32-101-88(93)94)114-83(136)69(39-53-42-106-59-24-12-9-21-56(53)59)119-80(133)64(29-18-34-103-90(97)98)113-78(131)63(28-17-33-102-89(95)96)116-86(139)72(46-124)122-84(137)70(40-54-43-107-60-25-13-10-22-57(54)60)120-82(135)68(111-51(7)125)38-52-41-105-58-23-11-8-20-55(52)58/h8-13,20-25,41-43,47-50,61-72,105-107,123-124H,14-19,26-40,44-46,92H2,1-7H3,(H,108,129)(H,109,130)(H,110,134)(H,111,125)(H,112,126)(H,113,131)(H,114,136)(H,115,138)(H,116,139)(H,117,127)(H,118,132)(H,119,133)(H,120,135)(H,121,128)(H,122,137)(H,140,141)(H4,93,94,101)(H4,95,96,102)(H4,97,98,103)(H4,99,100,104)/t49-,50-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1
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n/an/an/an/a 148n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant by degranulation assay


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50388998
PNG
(CHEMBL2064012)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C88H136N26O19/c1-48(2)38-66(76(122)100-46-73(119)106-67(39-49(3)4)82(128)103-50(5)74(120)110-65(86(132)133)28-19-37-97-88(94)95)111-80(126)63(26-14-17-35-91)109-85(131)71(47-115)114-75(121)51(6)102-78(124)64(27-18-36-96-87(92)93)108-83(129)68(40-53-29-31-56(117)32-30-53)112-81(127)62(25-13-16-34-90)107-79(125)61(24-12-15-33-89)105-72(118)45-101-77(123)69(41-54-43-98-59-22-10-8-20-57(54)59)113-84(130)70(104-52(7)116)42-55-44-99-60-23-11-9-21-58(55)60/h8-11,20-23,29-32,43-44,48-51,61-71,98-99,115,117H,12-19,24-28,33-42,45-47,89-91H2,1-7H3,(H,100,122)(H,101,123)(H,102,124)(H,103,128)(H,104,116)(H,105,118)(H,106,119)(H,107,125)(H,108,129)(H,109,131)(H,110,120)(H,111,126)(H,112,127)(H,113,130)(H,114,121)(H,132,133)(H4,92,93,96)(H4,94,95,97)/t50-,51-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1
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n/an/an/an/a 170n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant by degranulation assay


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50388996
PNG
(CHEMBL2063898)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C92H141N31O19/c1-47(2)37-67(77(130)109-45-73(127)113-68(38-48(3)4)82(135)111-49(5)75(128)118-66(88(141)142)31-20-36-105-92(100)101)119-80(133)62(27-15-16-32-93)116-86(139)72(46-124)122-76(129)50(6)110-78(131)63(28-17-33-102-89(94)95)115-84(137)70(40-54-43-107-60-25-13-10-22-57(54)60)120-81(134)64(29-18-34-103-90(96)97)114-79(132)65(30-19-35-104-91(98)99)117-87(140)74(51(7)125)123-85(138)71(41-55-44-108-61-26-14-11-23-58(55)61)121-83(136)69(112-52(8)126)39-53-42-106-59-24-12-9-21-56(53)59/h9-14,21-26,42-44,47-51,62-72,74,106-108,124-125H,15-20,27-41,45-46,93H2,1-8H3,(H,109,130)(H,110,131)(H,111,135)(H,112,126)(H,113,127)(H,114,132)(H,115,137)(H,116,139)(H,117,140)(H,118,128)(H,119,133)(H,120,134)(H,121,136)(H,122,129)(H,123,138)(H,141,142)(H4,94,95,102)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t49-,50-,51+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,74-/m0/s1
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n/an/an/an/a 195n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant by degranulation assay


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322620
PNG
((S)-2-((R)-2-((S)-2-((S)-1-((S)-2-((S)-1-((S)-6-am...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C57H88N14O13S/c1-33(2)29-42(49(76)63-34(3)47(74)66-41(56(83)84)16-10-25-62-57(60)61)68-53(80)46-18-12-27-71(46)55(82)40(23-28-85-4)65-52(79)45-17-11-26-70(45)54(81)39(15-8-9-24-58)64-50(77)43(31-35-13-6-5-7-14-35)67-51(78)44(32-72)69-48(75)38(59)30-36-19-21-37(73)22-20-36/h5-7,13-14,19-22,33-34,38-46,72-73H,8-12,15-18,23-32,58-59H2,1-4H3,(H,63,76)(H,64,77)(H,65,79)(H,66,74)(H,67,78)(H,68,80)(H,69,75)(H,83,84)(H4,60,61,62)/t34-,38+,39+,40+,41+,42+,43+,44+,45+,46+/m1/s1
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n/an/an/an/a 220n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50389003
PNG
(CHEMBL2064018)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C92H139N31O20/c1-47(2)36-66(77(131)109-45-73(126)113-67(37-48(3)4)82(136)111-49(5)75(129)118-65(88(142)143)30-19-35-105-92(100)101)119-80(134)61(26-14-15-31-93)117-87(141)72(46-124)123-76(130)50(6)110-78(132)62(27-16-32-102-89(94)95)115-84(138)69(39-53-43-107-59-24-12-9-21-56(53)59)120-81(135)64(29-18-34-104-91(98)99)114-79(133)63(28-17-33-103-90(96)97)116-86(140)71(41-74(127)128)122-85(139)70(40-54-44-108-60-25-13-10-22-57(54)60)121-83(137)68(112-51(7)125)38-52-42-106-58-23-11-8-20-55(52)58/h8-13,20-25,42-44,47-50,61-72,106-108,124H,14-19,26-41,45-46,93H2,1-7H3,(H,109,131)(H,110,132)(H,111,136)(H,112,125)(H,113,126)(H,114,133)(H,115,138)(H,116,140)(H,117,141)(H,118,129)(H,119,134)(H,120,135)(H,121,137)(H,122,139)(H,123,130)(H,127,128)(H,142,143)(H4,94,95,102)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t49-,50-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1
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n/an/an/an/a 224n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant by degranulation assay


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322644
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-14-butyl-2-(3-guan...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C34H57N9O8/c1-6-7-14-24(40-29(46)23(35)18-22-12-9-8-10-13-22)30(47)43-27(21(5)44)32(49)42-26(17-19(2)3)31(48)39-20(4)28(45)41-25(33(50)51)15-11-16-38-34(36)37/h8-10,12-13,19-21,23-27,44H,6-7,11,14-18,35H2,1-5H3,(H,39,48)(H,40,46)(H,41,45)(H,42,49)(H,43,47)(H,50,51)(H4,36,37,38)/t20-,21+,23-,24-,25-,26-,27-/m0/s1
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n/an/an/an/a 310n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor in human U937 cells assessed as inhibition of intracellular calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322644
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-14-butyl-2-(3-guan...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C34H57N9O8/c1-6-7-14-24(40-29(46)23(35)18-22-12-9-8-10-13-22)30(47)43-27(21(5)44)32(49)42-26(17-19(2)3)31(48)39-20(4)28(45)41-25(33(50)51)15-11-16-38-34(36)37/h8-10,12-13,19-21,23-27,44H,6-7,11,14-18,35H2,1-5H3,(H,39,48)(H,40,46)(H,41,45)(H,42,49)(H,43,47)(H,50,51)(H4,36,37,38)/t20-,21+,23-,24-,25-,26-,27-/m0/s1
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n/an/an/an/a 310n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322649
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinoprop...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C34H57N9O8/c1-18(2)15-25(30(47)39-20(5)28(45)40-24(33(50)51)13-10-14-38-34(36)37)42-32(49)27(21(6)44)43-31(48)26(16-19(3)4)41-29(46)23(35)17-22-11-8-7-9-12-22/h7-9,11-12,18-21,23-27,44H,10,13-17,35H2,1-6H3,(H,39,47)(H,40,45)(H,41,46)(H,42,49)(H,43,48)(H,50,51)(H4,36,37,38)/t20-,21+,23-,24-,25-,26-,27-/m0/s1
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n/an/an/an/a 320n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50389005
PNG
(CHEMBL2064014)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C94H143N31O21/c1-47(2)37-67(78(133)111-46-73(129)114-68(38-48(3)4)83(138)112-49(5)77(132)119-66(90(145)146)31-20-36-107-94(102)103)120-80(135)62(27-15-16-32-95)116-86(141)72(42-74(130)131)123-89(144)76(51(7)127)124-82(137)65(30-19-35-106-93(100)101)117-85(140)70(40-54-44-109-60-25-13-10-22-57(54)60)121-81(136)63(28-17-33-104-91(96)97)115-79(134)64(29-18-34-105-92(98)99)118-88(143)75(50(6)126)125-87(142)71(41-55-45-110-61-26-14-11-23-58(55)61)122-84(139)69(113-52(8)128)39-53-43-108-59-24-12-9-21-56(53)59/h9-14,21-26,43-45,47-51,62-72,75-76,108-110,126-127H,15-20,27-42,46,95H2,1-8H3,(H,111,133)(H,112,138)(H,113,128)(H,114,129)(H,115,134)(H,116,141)(H,117,140)(H,118,143)(H,119,132)(H,120,135)(H,121,136)(H,122,139)(H,123,144)(H,124,137)(H,125,142)(H,130,131)(H,145,146)(H4,96,97,104)(H4,98,99,105)(H4,100,101,106)(H4,102,103,107)/t49-,50+,51+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,75-,76-/m0/s1
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n/an/an/an/a 339n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant by degranulation assay


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322657
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinoprop...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C33H55N9O8/c1-18(2)14-24(29(46)38-20(5)27(44)39-23(32(49)50)12-9-13-37-33(35)36)41-31(48)26(17-43)42-30(47)25(15-19(3)4)40-28(45)22(34)16-21-10-7-6-8-11-21/h6-8,10-11,18-20,22-26,43H,9,12-17,34H2,1-5H3,(H,38,46)(H,39,44)(H,40,45)(H,41,48)(H,42,47)(H,49,50)(H4,35,36,37)/t20-,22-,23-,24-,25-,26-/m0/s1
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n/an/an/an/a 355n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor in human U937 cells assessed as inhibition of intracellular calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322657
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinoprop...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C33H55N9O8/c1-18(2)14-24(29(46)38-20(5)27(44)39-23(32(49)50)12-9-13-37-33(35)36)41-31(48)26(17-43)42-30(47)25(15-19(3)4)40-28(45)22(34)16-21-10-7-6-8-11-21/h6-8,10-11,18-20,22-26,43H,9,12-17,34H2,1-5H3,(H,38,46)(H,39,44)(H,40,45)(H,41,48)(H,42,47)(H,49,50)(H4,35,36,37)/t20-,22-,23-,24-,25-,26-/m0/s1
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n/an/an/an/a 355n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322648
PNG
((2S,5S,8S,11S,14S,17S)-14-((1H-indol-3-yl)methyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C39H56N10O8/c1-21(2)17-30(35(53)45-22(3)33(51)46-29(38(56)57)15-10-16-43-39(41)42)48-37(55)32(23(4)50)49-36(54)31(19-25-20-44-28-14-9-8-13-26(25)28)47-34(52)27(40)18-24-11-6-5-7-12-24/h5-9,11-14,20-23,27,29-32,44,50H,10,15-19,40H2,1-4H3,(H,45,53)(H,46,51)(H,47,52)(H,48,55)(H,49,54)(H,56,57)(H4,41,42,43)/t22-,23+,27-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a 370n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322628
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino-3-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C35H57N9O7/c1-20(2)17-26(31(47)40-22(5)29(45)41-25(34(50)51)13-9-15-39-35(37)38)42-32(48)28-14-10-16-44(28)33(49)27(18-21(3)4)43-30(46)24(36)19-23-11-7-6-8-12-23/h6-8,11-12,20-22,24-28H,9-10,13-19,36H2,1-5H3,(H,40,47)(H,41,45)(H,42,48)(H,43,46)(H,50,51)(H4,37,38,39)/t22-,24-,25-,26-,27-,28-/m0/s1
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n/an/an/an/a 420n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322628
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino-3-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C35H57N9O7/c1-20(2)17-26(31(47)40-22(5)29(45)41-25(34(50)51)13-9-15-39-35(37)38)42-32(48)28-14-10-16-44(28)33(49)27(18-21(3)4)43-30(46)24(36)19-23-11-7-6-8-12-23/h6-8,11-12,20-22,24-28H,9-10,13-19,36H2,1-5H3,(H,40,47)(H,41,45)(H,42,48)(H,43,46)(H,50,51)(H4,37,38,39)/t22-,24-,25-,26-,27-,28-/m0/s1
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n/an/an/an/a 420n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor in human U937 cells assessed as inhibition of intracellular calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322645
PNG
((2S,5S,8S,14S,17S)-14-((1H-indol-3-yl)methyl)-17-a...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C37H52N10O7/c1-21(2)16-29(35(52)44-22(3)32(49)46-28(36(53)54)14-9-15-41-37(39)40)45-31(48)20-43-34(51)30(18-24-19-42-27-13-8-7-12-25(24)27)47-33(50)26(38)17-23-10-5-4-6-11-23/h4-8,10-13,19,21-22,26,28-30,42H,9,14-18,20,38H2,1-3H3,(H,43,51)(H,44,52)(H,45,48)(H,46,49)(H,47,50)(H,53,54)(H4,39,40,41)/t22-,26-,28-,29-,30-/m0/s1
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n/an/an/an/a 470n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322645
PNG
((2S,5S,8S,14S,17S)-14-((1H-indol-3-yl)methyl)-17-a...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C37H52N10O7/c1-21(2)16-29(35(52)44-22(3)32(49)46-28(36(53)54)14-9-15-41-37(39)40)45-31(48)20-43-34(51)30(18-24-19-42-27-13-8-7-12-25(24)27)47-33(50)26(38)17-23-10-5-4-6-11-23/h4-8,10-13,19,21-22,26,28-30,42H,9,14-18,20,38H2,1-3H3,(H,43,51)(H,44,52)(H,45,48)(H,46,49)(H,47,50)(H,53,54)(H4,39,40,41)/t22-,26-,28-,29-,30-/m0/s1
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n/an/an/an/a 470n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor in human U937 cells assessed as inhibition of intracellular calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50389002
PNG
(CHEMBL2064017)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C93H141N31O20/c1-47(2)37-67(78(132)110-46-73(127)114-68(38-48(3)4)83(137)112-49(5)76(130)119-66(89(143)144)31-20-36-106-93(101)102)121-81(135)62(27-15-16-32-94)116-86(140)72(42-74(128)129)120-77(131)50(6)111-79(133)63(28-17-33-103-90(95)96)117-85(139)70(40-54-44-108-60-25-13-10-22-57(54)60)122-82(136)64(29-18-34-104-91(97)98)115-80(134)65(30-19-35-105-92(99)100)118-88(142)75(51(7)125)124-87(141)71(41-55-45-109-61-26-14-11-23-58(55)61)123-84(138)69(113-52(8)126)39-53-43-107-59-24-12-9-21-56(53)59/h9-14,21-26,43-45,47-51,62-72,75,107-109,125H,15-20,27-42,46,94H2,1-8H3,(H,110,132)(H,111,133)(H,112,137)(H,113,126)(H,114,127)(H,115,134)(H,116,140)(H,117,139)(H,118,142)(H,119,130)(H,120,131)(H,121,135)(H,122,136)(H,123,138)(H,124,141)(H,128,129)(H,143,144)(H4,95,96,103)(H4,97,98,104)(H4,99,100,105)(H4,101,102,106)/t49-,50-,51+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,75-/m0/s1
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n/an/an/an/a 490n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at C3a receptor in dbcAMP differentiated human U937 cells assessed as increase in intracellular calcium using Fluo-R staining by mic...


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322647
PNG
((2S,5S,8S,11S,14S,17S)-14-((1H-indol-3-yl)methyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C38H54N10O8/c1-21(2)16-29(34(52)44-22(3)32(50)45-28(37(55)56)14-9-15-42-38(40)41)47-36(54)31(20-49)48-35(53)30(18-24-19-43-27-13-8-7-12-25(24)27)46-33(51)26(39)17-23-10-5-4-6-11-23/h4-8,10-13,19,21-22,26,28-31,43,49H,9,14-18,20,39H2,1-3H3,(H,44,52)(H,45,50)(H,46,51)(H,47,54)(H,48,53)(H,55,56)(H4,40,41,42)/t22-,26-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a 490n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor in human U937 cells assessed as inhibition of intracellular calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322647
PNG
((2S,5S,8S,11S,14S,17S)-14-((1H-indol-3-yl)methyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C38H54N10O8/c1-21(2)16-29(34(52)44-22(3)32(50)45-28(37(55)56)14-9-15-42-38(40)41)47-36(54)31(20-49)48-35(53)30(18-24-19-43-27-13-8-7-12-25(24)27)46-33(51)26(39)17-23-10-5-4-6-11-23/h4-8,10-13,19,21-22,26,28-31,43,49H,9,14-18,20,39H2,1-3H3,(H,44,52)(H,45,50)(H,46,51)(H,47,54)(H,48,53)(H,55,56)(H4,40,41,42)/t22-,26-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a 490n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322652
PNG
((2S,5S,8S,14S,17S)-17-amino-2-(3-guanidinopropyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C32H53N9O7/c1-18(2)14-24(41-28(44)22(33)16-21-10-7-6-8-11-21)29(45)37-17-26(42)39-25(15-19(3)4)30(46)38-20(5)27(43)40-23(31(47)48)12-9-13-36-32(34)35/h6-8,10-11,18-20,22-25H,9,12-17,33H2,1-5H3,(H,37,45)(H,38,46)(H,39,42)(H,40,43)(H,41,44)(H,47,48)(H4,34,35,36)/t20-,22-,23-,24-,25-/m0/s1
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n/an/an/an/a 513n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322652
PNG
((2S,5S,8S,14S,17S)-17-amino-2-(3-guanidinopropyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C32H53N9O7/c1-18(2)14-24(41-28(44)22(33)16-21-10-7-6-8-11-21)29(45)37-17-26(42)39-25(15-19(3)4)30(46)38-20(5)27(43)40-23(31(47)48)12-9-13-36-32(34)35/h6-8,10-11,18-20,22-25H,9,12-17,33H2,1-5H3,(H,37,45)(H,38,46)(H,39,42)(H,40,43)(H,41,44)(H,47,48)(H4,34,35,36)/t20-,22-,23-,24-,25-/m0/s1
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n/an/an/an/a 513n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor in human U937 cells assessed as inhibition of intracellular calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322640
PNG
((6S,9S,12S,15S,18S,21S)-1-amino-21-benzyl-15-((R)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C36H59N9O9/c1-19(2)16-26(31(49)40-21(5)30(48)42-25(35(53)54)14-11-15-39-36(37)38)44-34(52)29(22(6)46)45-33(51)27(17-20(3)4)43-32(50)28(41-23(7)47)18-24-12-9-8-10-13-24/h8-10,12-13,19-22,25-29,46H,11,14-18H2,1-7H3,(H,40,49)(H,41,47)(H,42,48)(H,43,50)(H,44,52)(H,45,51)(H,53,54)(H4,37,38,39)/t21-,22+,25-,26-,27-,28-,29-/m0/s1
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n/an/an/an/a 520n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322640
PNG
((6S,9S,12S,15S,18S,21S)-1-amino-21-benzyl-15-((R)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C36H59N9O9/c1-19(2)16-26(31(49)40-21(5)30(48)42-25(35(53)54)14-11-15-39-36(37)38)44-34(52)29(22(6)46)45-33(51)27(17-20(3)4)43-32(50)28(41-23(7)47)18-24-12-9-8-10-13-24/h8-10,12-13,19-22,25-29,46H,11,14-18H2,1-7H3,(H,40,49)(H,41,47)(H,42,48)(H,43,50)(H,44,52)(H,45,51)(H,53,54)(H4,37,38,39)/t21-,22+,25-,26-,27-,28-,29-/m0/s1
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n/an/an/an/a 520n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor in human U937 cells assessed as inhibition of intracellular calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322633
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino-3-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C40H56N10O7/c1-23(2)19-31(36(53)46-24(3)34(51)47-30(39(56)57)15-9-17-44-40(42)43)48-37(54)33-16-10-18-50(33)38(55)32(21-26-22-45-29-14-8-7-13-27(26)29)49-35(52)28(41)20-25-11-5-4-6-12-25/h4-8,11-14,22-24,28,30-33,45H,9-10,15-21,41H2,1-3H3,(H,46,53)(H,47,51)(H,48,54)(H,49,52)(H,56,57)(H4,42,43,44)/t24-,28-,30-,31-,32-,33-/m0/s1
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n/an/an/an/a 580n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50388995
PNG
(CHEMBL2064019)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C93H141N31O20/c1-48(2)38-68(78(132)110-46-74(127)114-69(39-49(3)4)84(138)112-50(5)76(130)120-67(89(143)144)30-19-37-106-93(101)102)121-81(135)62(26-14-15-33-94)118-88(142)73(47-125)124-77(131)51(6)111-79(133)63(27-16-34-103-90(95)96)117-86(140)71(41-54-44-108-60-24-12-9-21-57(54)60)122-82(136)65(29-18-36-105-92(99)100)115-80(134)64(28-17-35-104-91(97)98)116-83(137)66(31-32-75(128)129)119-87(141)72(42-55-45-109-61-25-13-10-22-58(55)61)123-85(139)70(113-52(7)126)40-53-43-107-59-23-11-8-20-56(53)59/h8-13,20-25,43-45,48-51,62-73,107-109,125H,14-19,26-42,46-47,94H2,1-7H3,(H,110,132)(H,111,133)(H,112,138)(H,113,126)(H,114,127)(H,115,134)(H,116,137)(H,117,140)(H,118,142)(H,119,141)(H,120,130)(H,121,135)(H,122,136)(H,123,139)(H,124,131)(H,128,129)(H,143,144)(H4,95,96,103)(H4,97,98,104)(H4,99,100,105)(H4,101,102,106)/t50-,51-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1
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n/an/an/an/a 661n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Partial agonist activity at C3a receptor in dbcAMP differentiated human U937 cells assessed as increase in intracellular calcium using Fluo-R stainin...


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50388999
PNG
(CHEMBL2064013)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C95H143N35O21/c1-47(2)36-66(78(138)116-46-75(134)119-67(37-48(3)4)84(144)117-49(5)77(137)125-65(90(150)151)28-17-35-112-95(106)107)126-80(140)61(25-14-32-109-92(100)101)122-89(149)72(42-74(97)133)130-83(143)64(29-30-76(135)136)124-79(139)60(24-13-31-108-91(98)99)120-86(146)69(39-52-44-114-58-22-11-8-19-55(52)58)127-81(141)62(26-15-33-110-93(102)103)123-88(148)71(41-73(96)132)129-82(142)63(27-16-34-111-94(104)105)121-87(147)70(40-53-45-115-59-23-12-9-20-56(53)59)128-85(145)68(118-50(6)131)38-51-43-113-57-21-10-7-18-54(51)57/h7-12,18-23,43-45,47-49,60-72,113-115H,13-17,24-42,46H2,1-6H3,(H2,96,132)(H2,97,133)(H,116,138)(H,117,144)(H,118,131)(H,119,134)(H,120,146)(H,121,147)(H,122,149)(H,123,148)(H,124,139)(H,125,137)(H,126,140)(H,127,141)(H,128,145)(H,129,142)(H,130,143)(H,135,136)(H,150,151)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)(H4,106,107,112)/t49-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1
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n/an/an/an/a 676n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant by degranulation assay


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50389000
PNG
(CHEMBL2064015)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C95H145N31O21/c1-48(2)39-69(79(134)112-47-74(130)115-70(40-49(3)4)85(140)113-50(5)78(133)121-68(91(146)147)31-20-38-108-95(103)104)122-81(136)63(27-15-16-34-96)116-83(138)67(32-33-75(131)132)120-90(145)76(51(6)127)125-84(139)66(30-19-37-107-94(101)102)118-87(142)72(42-55-45-110-61-25-13-10-22-58(55)61)123-82(137)64(28-17-35-105-92(97)98)117-80(135)65(29-18-36-106-93(99)100)119-89(144)77(52(7)128)126-88(143)73(43-56-46-111-62-26-14-11-23-59(56)62)124-86(141)71(114-53(8)129)41-54-44-109-60-24-12-9-21-57(54)60/h9-14,21-26,44-46,48-52,63-73,76-77,109-111,127-128H,15-20,27-43,47,96H2,1-8H3,(H,112,134)(H,113,140)(H,114,129)(H,115,130)(H,116,138)(H,117,135)(H,118,142)(H,119,144)(H,120,145)(H,121,133)(H,122,136)(H,123,137)(H,124,141)(H,125,139)(H,126,143)(H,131,132)(H,146,147)(H4,97,98,105)(H4,99,100,106)(H4,101,102,107)(H4,103,104,108)/t50-,51+,52+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,76-,77-/m0/s1
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n/an/an/an/a 708n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant by degranulation assay


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322634
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino-3-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C42H57N9O7/c1-25(2)22-33(38(54)47-26(3)36(52)48-32(41(57)58)18-10-20-46-42(44)45)49-39(55)35-19-11-21-51(35)40(56)34(24-29-16-9-15-28-14-7-8-17-30(28)29)50-37(53)31(43)23-27-12-5-4-6-13-27/h4-9,12-17,25-26,31-35H,10-11,18-24,43H2,1-3H3,(H,47,54)(H,48,52)(H,49,55)(H,50,53)(H,57,58)(H4,44,45,46)/t26-,31-,32-,33-,34-,35-/m0/s1
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n/an/an/an/a 720n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322634
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino-3-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C42H57N9O7/c1-25(2)22-33(38(54)47-26(3)36(52)48-32(41(57)58)18-10-20-46-42(44)45)49-39(55)35-19-11-21-51(35)40(56)34(24-29-16-9-15-28-14-7-8-17-30(28)29)50-37(53)31(43)23-27-12-5-4-6-13-27/h4-9,12-17,25-26,31-35H,10-11,18-24,43H2,1-3H3,(H,47,54)(H,48,52)(H,49,55)(H,50,53)(H,57,58)(H4,44,45,46)/t26-,31-,32-,33-,34-,35-/m0/s1
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n/an/an/an/a 720n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor in human U937 cells assessed as inhibition of intracellular calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322629
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino-3-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C38H61N9O7/c1-23(2)20-29(34(50)43-24(3)32(48)44-28(37(53)54)16-10-18-42-38(40)41)45-35(51)31-17-11-19-47(31)36(52)30(22-26-14-8-5-9-15-26)46-33(49)27(39)21-25-12-6-4-7-13-25/h4,6-7,12-13,23-24,26-31H,5,8-11,14-22,39H2,1-3H3,(H,43,50)(H,44,48)(H,45,51)(H,46,49)(H,53,54)(H4,40,41,42)/t24-,27-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a 780n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322629
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino-3-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C38H61N9O7/c1-23(2)20-29(34(50)43-24(3)32(48)44-28(37(53)54)16-10-18-42-38(40)41)45-35(51)31-17-11-19-47(31)36(52)30(22-26-14-8-5-9-15-26)46-33(49)27(39)21-25-12-6-4-7-13-25/h4,6-7,12-13,23-24,26-31H,5,8-11,14-22,39H2,1-3H3,(H,43,50)(H,44,48)(H,45,51)(H,46,49)(H,53,54)(H4,40,41,42)/t24-,27-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a 780n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor in human U937 cells assessed as inhibition of intracellular calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50389001
PNG
(CHEMBL2064016)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C92H139N31O20/c1-47(2)36-66(78(132)110-46-72(126)113-67(37-48(3)4)82(136)111-49(5)76(130)119-65(88(142)143)30-19-35-105-92(100)101)120-80(134)62(26-14-15-31-93)117-85(139)71(41-74(128)129)114-73(127)45-109-77(131)61(27-16-32-102-89(94)95)115-84(138)69(39-53-43-107-59-24-12-9-21-56(53)59)121-81(135)63(28-17-33-103-90(96)97)116-79(133)64(29-18-34-104-91(98)99)118-87(141)75(50(6)124)123-86(140)70(40-54-44-108-60-25-13-10-22-57(54)60)122-83(137)68(112-51(7)125)38-52-42-106-58-23-11-8-20-55(52)58/h8-13,20-25,42-44,47-50,61-71,75,106-108,124H,14-19,26-41,45-46,93H2,1-7H3,(H,109,131)(H,110,132)(H,111,136)(H,112,125)(H,113,126)(H,114,127)(H,115,138)(H,116,133)(H,117,139)(H,118,141)(H,119,130)(H,120,134)(H,121,135)(H,122,137)(H,123,140)(H,128,129)(H,142,143)(H4,94,95,102)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t49-,50+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,75-/m0/s1
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n/an/an/an/a 794n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at C3a receptor in dbcAMP differentiated human U937 cells assessed as increase in intracellular calcium using Fluo-R staining by mic...


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322638
PNG
((2S,5S,8S,11S,14S,17S)-14-((1H-indol-3-yl)methyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C41H57N11O8/c1-21(2)16-32(37(56)48-22(3)35(54)49-31(40(59)60)14-9-15-45-41(43)44)51-39(58)34(23(4)53)52-38(57)33(18-25-20-47-30-13-8-6-11-27(25)30)50-36(55)28(42)17-24-19-46-29-12-7-5-10-26(24)29/h5-8,10-13,19-23,28,31-34,46-47,53H,9,14-18,42H2,1-4H3,(H,48,56)(H,49,54)(H,50,55)(H,51,58)(H,52,57)(H,59,60)(H4,43,44,45)/t22-,23+,28-,31-,32-,33-,34-/m0/s1
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n/an/an/an/a 910n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322626
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((2S,3S)-2-((S)-2-amino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C35H57N9O7/c1-6-21(4)28(43-30(46)24(36)19-23-12-8-7-9-13-23)33(49)44-17-11-15-27(44)32(48)42-26(18-20(2)3)31(47)40-22(5)29(45)41-25(34(50)51)14-10-16-39-35(37)38/h7-9,12-13,20-22,24-28H,6,10-11,14-19,36H2,1-5H3,(H,40,47)(H,41,45)(H,42,48)(H,43,46)(H,50,51)(H4,37,38,39)/t21-,22-,24-,25-,26-,27-,28-/m0/s1
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n/an/an/an/a 950n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor in human U937 cells assessed as inhibition of intracellular calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322626
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((2S,3S)-2-((S)-2-amino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C35H57N9O7/c1-6-21(4)28(43-30(46)24(36)19-23-12-8-7-9-13-23)33(49)44-17-11-15-27(44)32(48)42-26(18-20(2)3)31(47)40-22(5)29(45)41-25(34(50)51)14-10-16-39-35(37)38/h7-9,12-13,20-22,24-28H,6,10-11,14-19,36H2,1-5H3,(H,40,47)(H,41,45)(H,42,48)(H,43,46)(H,50,51)(H4,37,38,39)/t21-,22-,24-,25-,26-,27-,28-/m0/s1
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n/an/an/an/a 950n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50388997
PNG
(CHEMBL2064011)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C90H140N30O20/c1-46(2)37-65(75(128)106-44-71(125)110-66(38-47(3)4)80(133)108-48(5)73(126)115-64(86(139)140)27-18-36-103-90(98)99)116-78(131)60(23-13-14-32-91)113-84(137)70(45-121)119-74(127)49(6)107-76(129)61(24-15-33-100-87(92)93)112-81(134)67(39-52-28-30-55(124)31-29-52)117-79(132)62(25-16-34-101-88(94)95)111-77(130)63(26-17-35-102-89(96)97)114-85(138)72(50(7)122)120-83(136)69(41-54-43-105-59-22-12-10-20-57(54)59)118-82(135)68(109-51(8)123)40-53-42-104-58-21-11-9-19-56(53)58/h9-12,19-22,28-31,42-43,46-50,60-70,72,104-105,121-122,124H,13-18,23-27,32-41,44-45,91H2,1-8H3,(H,106,128)(H,107,129)(H,108,133)(H,109,123)(H,110,125)(H,111,130)(H,112,134)(H,113,137)(H,114,138)(H,115,126)(H,116,131)(H,117,132)(H,118,135)(H,119,127)(H,120,136)(H,139,140)(H4,92,93,100)(H4,94,95,101)(H4,96,97,102)(H4,98,99,103)/t48-,49-,50+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,72-/m0/s1
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PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant by degranulation assay


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322656
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinoprop...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C33H55N9O7/c1-18(2)15-25(30(46)38-20(5)27(43)40-24(32(48)49)13-10-14-37-33(35)36)41-28(44)21(6)39-31(47)26(16-19(3)4)42-29(45)23(34)17-22-11-8-7-9-12-22/h7-9,11-12,18-21,23-26H,10,13-17,34H2,1-6H3,(H,38,46)(H,39,47)(H,40,43)(H,41,44)(H,42,45)(H,48,49)(H4,35,36,37)/t20-,21-,23-,24-,25-,26-/m0/s1
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PubMed
n/an/an/an/a 1.10E+3n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor in human U937 cells assessed as inhibition of intracellular calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322656
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinoprop...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C33H55N9O7/c1-18(2)15-25(30(46)38-20(5)27(43)40-24(32(48)49)13-10-14-37-33(35)36)41-28(44)21(6)39-31(47)26(16-19(3)4)42-29(45)23(34)17-22-11-8-7-9-12-22/h7-9,11-12,18-21,23-26H,10,13-17,34H2,1-6H3,(H,38,46)(H,39,47)(H,40,43)(H,41,44)(H,42,45)(H,48,49)(H4,35,36,37)/t20-,21-,23-,24-,25-,26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 1.10E+3n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release


Citation and Details
More data for this
Ligand-Target Pair
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