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Compile Data Set for Download or QSAR

Found 273 hits Enz. Inhib. hit(s) with Target = 'C3a anaphylatoxin chemotactic receptor'   
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)
BDBM50028698
PNG
(CHEMBL3342676)
Show SMILES NC(=N)NCCC[C@H](NC(=O)CSCC(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1/C22H28N4O3S/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,26,27)(H,28,29)(H4,23,24,25)/t19-/s2
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n/an/a 0.800n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity against C3AR in HMDMs assessed as inhibition of C3a-induced intracellular calcium release by Fluo-3 AM dye based FLIPR assay


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


(Homo sapiens)
BDBM50322650
PNG
((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...)
Show SMILES NC(N)=NCCC[C@H](NC(=O)COCC(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H28N4O4/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,26,27)(H,28,29)(H4,23,24,25)/t19-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity against C3AR in HMDMs assessed as inhibition of C3a-induced intracellular calcium release by Fluo-3 AM dye based FLIPR assay


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/a 1.86n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


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


(Homo sapiens)
BDBM50322621
PNG
((2S,5S,8S,14S,17S,20S,23S,26S,29S,32S,35S,41S,44S)...)
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](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C86H134N26O18/c1-47(2)37-65(75(120)99-45-71(116)104-66(38-48(3)4)81(126)102-49(5)72(117)108-64(84(129)130)27-18-36-96-86(93)94)110-79(124)62(25-13-16-34-89)107-83(128)69(46-113)112-73(118)50(6)101-77(122)63(26-17-35-95-85(91)92)106-82(127)67(39-51-28-30-54(114)31-29-51)111-80(125)61(24-12-15-33-88)105-78(123)60(23-11-14-32-87)103-70(115)44-100-76(121)68(41-53-43-98-59-22-10-8-20-56(53)59)109-74(119)57(90)40-52-42-97-58-21-9-7-19-55(52)58/h7-10,19-22,28-31,42-43,47-50,57,60-69,97-98,113-114H,11-18,23-27,32-41,44-46,87-90H2,1-6H3,(H,99,120)(H,100,121)(H,101,122)(H,102,126)(H,103,115)(H,104,116)(H,105,123)(H,106,127)(H,107,128)(H,108,117)(H,109,119)(H,110,124)(H,111,125)(H,112,118)(H,129,130)(H4,91,92,95)(H4,93,94,96)/t49-,50-,57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I-C3a] from C3a receptor in human PBMC by scintillation counting


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


(Homo sapiens)
BDBM50322621
PNG
((2S,5S,8S,14S,17S,20S,23S,26S,29S,32S,35S,41S,44S)...)
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](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C86H134N26O18/c1-47(2)37-65(75(120)99-45-71(116)104-66(38-48(3)4)81(126)102-49(5)72(117)108-64(84(129)130)27-18-36-96-86(93)94)110-79(124)62(25-13-16-34-89)107-83(128)69(46-113)112-73(118)50(6)101-77(122)63(26-17-35-95-85(91)92)106-82(127)67(39-51-28-30-54(114)31-29-51)111-80(125)61(24-12-15-33-88)105-78(123)60(23-11-14-32-87)103-70(115)44-100-76(121)68(41-53-43-98-59-22-10-8-20-56(53)59)109-74(119)57(90)40-52-42-97-58-21-9-7-19-55(52)58/h7-10,19-22,28-31,42-43,47-50,57,60-69,97-98,113-114H,11-18,23-27,32-41,44-46,87-90H2,1-6H3,(H,99,120)(H,100,121)(H,101,122)(H,102,126)(H,103,115)(H,104,116)(H,105,123)(H,106,127)(H,107,128)(H,108,117)(H,109,119)(H,110,124)(H,111,125)(H,112,118)(H,129,130)(H4,91,92,95)(H4,93,94,96)/t49-,50-,57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I-C3a] from C3a receptor in human PBMC by scintillation counting


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


(Homo sapiens)
BDBM50028700
PNG
(CHEMBL3342678)
Show SMILES NC(=N)NCCC[C@H](NC(=O)CNCC(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1/C22H29N5O3/c23-22(24)26-13-7-12-19(21(29)30)27-20(28)15-25-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19,25H,7,12-15H2,(H,27,28)(H,29,30)(H4,23,24,26)/t19-/s2
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n/an/a 4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity against C3AR in HMDMs assessed as inhibition of C3a-induced intracellular calcium release by Fluo-3 AM dye based FLIPR assay


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/a 4.57n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


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/a 5.01n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


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


(Homo sapiens)
BDBM50028699
PNG
(CHEMBL3342677)
Show SMILES NC(=N)NCCC[C@H](NC(=O)CCCC(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1/C23H30N4O3/c24-23(25)26-16-8-14-20(22(29)30)27-21(28)15-7-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2,(H,27,28)(H,29,30)(H4,24,25,26)/t20-/s2
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n/an/a 6n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity against C3AR in HMDMs assessed as inhibition of C3a-induced intracellular calcium release by Fluo-3 AM dye based FLIPR 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/a 6.30n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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/a 7n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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/a 7.76n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


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


(Homo sapiens)
BDBM50028698
PNG
(CHEMBL3342676)
Show SMILES NC(=N)NCCC[C@H](NC(=O)CSCC(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1/C22H28N4O3S/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,26,27)(H,28,29)(H4,23,24,25)/t19-/s2
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n/an/a 7.90n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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


(Homo sapiens)
BDBM50028698
PNG
(CHEMBL3342676)
Show SMILES NC(=N)NCCC[C@H](NC(=O)CSCC(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1/C22H28N4O3S/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,26,27)(H,28,29)(H4,23,24,25)/t19-/s2
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n/an/a 8n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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/a 9.12n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


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


(Homo sapiens)
BDBM50322650
PNG
((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...)
Show SMILES NC(N)=NCCC[C@H](NC(=O)COCC(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H28N4O4/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,26,27)(H,28,29)(H4,23,24,25)/t19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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


(Homo sapiens)
BDBM50322650
PNG
((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...)
Show SMILES NC(N)=NCCC[C@H](NC(=O)COCC(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H28N4O4/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,26,27)(H,28,29)(H4,23,24,25)/t19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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


(Homo sapiens)
BDBM50028781
PNG
(CHEMBL3342686)
Show SMILES Cc1oc(nc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C24H27N5O4/c1-15-20(21(30)28-18(23(31)32)13-8-14-27-24(25)26)29-22(33-15)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,31,32)(H4,25,26,27)/t18-/s2
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n/an/a 10n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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/a 10n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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/a 10n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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/a 11.0n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


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


(Homo sapiens)
BDBM50028781
PNG
(CHEMBL3342686)
Show SMILES Cc1oc(nc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C24H27N5O4/c1-15-20(21(30)28-18(23(31)32)13-8-14-27-24(25)26)29-22(33-15)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,31,32)(H4,25,26,27)/t18-/s2
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n/an/a 11n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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


(Homo sapiens)
BDBM50028702
PNG
(CHEMBL3342680)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1nc(no1)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1/C22H24N6O4/c23-22(24)25-13-7-12-16(21(30)31)26-19(29)20-27-18(28-32-20)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2,(H,26,29)(H,30,31)(H4,23,24,25)/t16-/s2
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n/an/a 12n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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/a 12.3n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


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


(Homo sapiens)
BDBM50028702
PNG
(CHEMBL3342680)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1nc(no1)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1/C22H24N6O4/c23-22(24)25-13-7-12-16(21(30)31)26-19(29)20-27-18(28-32-20)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2,(H,26,29)(H,30,31)(H4,23,24,25)/t16-/s2
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n/an/a 13n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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/a 13n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I-C3a] from C3a receptor in human PBMC by scintillation counting


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/a 15.5n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


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


(Homo sapiens)
BDBM50422998
PNG
(CHEMBL387755)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)c1ccc(o1)C(c1cccc(Cl)c1)c1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C24H24Cl2N4O4/c25-16-6-1-4-14(12-16)21(15-5-2-7-17(26)13-15)19-9-10-20(34-19)22(31)30-18(23(32)33)8-3-11-29-24(27)28/h1-2,4-7,9-10,12-13,18,21H,3,8,11H2,(H,30,31)(H,32,33)(H4,27,28,29)/t18-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



UCB Global Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human C3a receptor expressed on HMC1 cells by SPA assay


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


(Homo sapiens)
BDBM50028780
PNG
(CHEMBL3342685)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1coc(n1)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1/C23H25N5O4/c24-23(25)26-13-7-12-17(22(30)31)27-20(29)18-14-32-21(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,27,29)(H,30,31)(H4,24,25,26)/t17-/s2
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n/an/a 19n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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


(Homo sapiens)
BDBM50028780
PNG
(CHEMBL3342685)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1coc(n1)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1/C23H25N5O4/c24-23(25)26-13-7-12-17(22(30)31)27-20(29)18-14-32-21(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,27,29)(H,30,31)(H4,24,25,26)/t17-/s2
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n/an/a 20n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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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n/an/a 23.4n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


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/a 26.3n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


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/a 31n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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


(Homo sapiens)
BDBM50422999
PNG
(CHEMBL229005)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)c1ccc(o1)C(c1cccc(F)c1)c1cccc(F)c1)C(O)=O
Show InChI InChI=1S/C24H24F2N4O4/c25-16-6-1-4-14(12-16)21(15-5-2-7-17(26)13-15)19-9-10-20(34-19)22(31)30-18(23(32)33)8-3-11-29-24(27)28/h1-2,4-7,9-10,12-13,18,21H,3,8,11H2,(H,30,31)(H,32,33)(H4,27,28,29)/t18-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



UCB Global Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human C3a receptor expressed on HMC1 cells by SPA assay


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


(Homo sapiens)
BDBM50423088
PNG
(CHEMBL396031)
Show SMILES Fc1ncccc1CCC(=O)N1CCC(CC1)NC(=O)C(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C27H34FN3O2/c28-26-22(12-7-17-29-26)13-14-24(32)31-18-15-23(16-19-31)30-27(33)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1,3-4,7-9,12,17,21,23,25H,2,5-6,10-11,13-16,18-19H2,(H,30,33)
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n/an/a 32n/an/an/an/an/an/a



UCB Global Chemistry

Curated by ChEMBL


Assay Description
Displacement of [125I]C3a from human C3a receptor expressed in HMC1 cells co-expressing aequorin


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/a 32n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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/a 42n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I-C3a] from C3a receptor in human PBMC by scintillation counting


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/a 42n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I-C3a] from C3a receptor in human PBMC by scintillation counting


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


(Homo sapiens)
BDBM50422988
PNG
(CHEMBL230034)
Show SMILES NC(N)=NCCC[C@H](NC(=O)c1ccc(o1)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H26N4O4/c25-24(26)27-15-7-12-18(23(30)31)28-22(29)20-14-13-19(32-20)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,13-14,18,21H,7,12,15H2,(H,28,29)(H,30,31)(H4,25,26,27)/t18-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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


(Homo sapiens)
BDBM50423097
PNG
(CHEMBL438129)
Show SMILES Clc1cccc(c1)C(C1CCCC=C1)C(=O)NC1CCN(CC1)C(=O)CCc1cccnc1
Show InChI InChI=1S/C27H32ClN3O2/c28-23-10-4-9-22(18-23)26(21-7-2-1-3-8-21)27(33)30-24-13-16-31(17-14-24)25(32)12-11-20-6-5-15-29-19-20/h2,4-7,9-10,15,18-19,21,24,26H,1,3,8,11-14,16-17H2,(H,30,33)
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n/an/a 50n/an/an/an/an/an/a



UCB Global Chemistry

Curated by ChEMBL


Assay Description
Displacement of [125I]C3a from human C3a receptor expressed in HMC1 cells co-expressing aequorin


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


(Homo sapiens)
BDBM50028775
PNG
(CHEMBL3342681)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1noc(n1)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1/C22H24N6O4/c23-22(24)25-13-7-12-16(21(30)31)26-19(29)18-27-20(32-28-18)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2,(H,26,29)(H,30,31)(H4,23,24,25)/t16-/s2
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n/an/a 50n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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/a 50.1n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


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


(Homo sapiens)
BDBM50028775
PNG
(CHEMBL3342681)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1noc(n1)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1/C22H24N6O4/c23-22(24)25-13-7-12-16(21(30)31)26-19(29)18-27-20(32-28-18)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2,(H,26,29)(H,30,31)(H4,23,24,25)/t16-/s2
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n/an/a 54n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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


(Homo sapiens)
BDBM50422988
PNG
(CHEMBL230034)
Show SMILES NC(N)=NCCC[C@H](NC(=O)c1ccc(o1)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H26N4O4/c25-24(26)27-15-7-12-18(23(30)31)28-22(29)20-14-13-19(32-20)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,13-14,18,21H,7,12,15H2,(H,28,29)(H,30,31)(H4,25,26,27)/t18-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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


(Homo sapiens)
BDBM50422988
PNG
(CHEMBL230034)
Show SMILES NC(N)=NCCC[C@H](NC(=O)c1ccc(o1)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H26N4O4/c25-24(26)27-15-7-12-18(23(30)31)28-22(29)20-14-13-19(32-20)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,13-14,18,21H,7,12,15H2,(H,28,29)(H,30,31)(H4,25,26,27)/t18-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



UCB Global Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human C3a receptor expressed on HMC1 cells by SPA assay


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/a 63.1n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


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


(Homo sapiens)
BDBM50423077
PNG
(CHEMBL232031)
Show SMILES Cc1cccc(c1)C(C1CCCCC1)C(=O)NC1CCN(CC1)C(=O)CCc1cccnc1
Show InChI InChI=1S/C28H37N3O2/c1-21-7-5-11-24(19-21)27(23-9-3-2-4-10-23)28(33)30-25-14-17-31(18-15-25)26(32)13-12-22-8-6-16-29-20-22/h5-8,11,16,19-20,23,25,27H,2-4,9-10,12-15,17-18H2,1H3,(H,30,33)
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n/an/a 79n/an/an/an/an/an/a



UCB Global Chemistry

Curated by ChEMBL


Assay Description
Displacement of [125I]C3a from human C3a receptor expressed in HMC1 cells co-expressing aequorin


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


(Homo sapiens)
BDBM50423000
PNG
(CHEMBL231405)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)c1ccc(o1)-c1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C17H19ClN4O4/c18-11-4-1-3-10(9-11)13-6-7-14(26-13)15(23)22-12(16(24)25)5-2-8-21-17(19)20/h1,3-4,6-7,9,12H,2,5,8H2,(H,22,23)(H,24,25)(H4,19,20,21)/t12-/m1/s1
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n/an/a 79n/an/an/an/an/an/a



UCB Global Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human C3a receptor expressed on HMC1 cells by SPA assay


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


(Homo sapiens)
BDBM50028778
PNG
(CHEMBL3342687)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1nc([nH]c1-c1ccccc1)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1/C29H30N6O3/c30-29(31)32-18-10-17-22(28(37)38)33-27(36)25-24(21-15-8-3-9-16-21)34-26(35-25)23(19-11-4-1-5-12-19)20-13-6-2-7-14-20/h1-9,11-16,22-23H,10,17-18H2,(H,33,36)(H,34,35)(H,37,38)(H4,30,31,32)/t22-/s2
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n/an/a 79n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method


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/a 81n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I-C3a] from C3a receptor in human PBMC by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
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