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PubMed code 20527893

Compile data set for download or QSAR
Found 120 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50111445
PNG
((S)-N-((3R,6S,9S,15S,20aS)-6-((1H-indol-3-yl)methy...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O
Show InChI InChI=1S/C47H65N11O7/c1-29(59)53-37(25-30-13-4-2-5-14-30)42(61)55-36-20-11-22-50-41(60)35(19-10-23-51-47(48)49)54-44(63)39(27-32-28-52-34-18-9-8-17-33(32)34)56-43(62)38(26-31-15-6-3-7-16-31)57-45(64)40-21-12-24-58(40)46(36)65/h2,4-5,8-9,13-14,17-18,28,31,35-40,52H,3,6-7,10-12,15-16,19-27H2,1H3,(H,50,60)(H,53,59)(H,54,63)(H,55,61)(H,56,62)(H,57,64)(H4,48,49,51)/t35-,36-,37-,38+,39-,40-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I-C5a] from C5a receptor in human PBMC by scintillation counting


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50111445
PNG
((S)-N-((3R,6S,9S,15S,20aS)-6-((1H-indol-3-yl)methy...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O
Show InChI InChI=1S/C47H65N11O7/c1-29(59)53-37(25-30-13-4-2-5-14-30)42(61)55-36-20-11-22-50-41(60)35(19-10-23-51-47(48)49)54-44(63)39(27-32-28-52-34-18-9-8-17-33(32)34)56-43(62)38(26-31-15-6-3-7-16-31)57-45(64)40-21-12-24-58(40)46(36)65/h2,4-5,8-9,13-14,17-18,28,31,35-40,52H,3,6-7,10-12,15-16,19-27H2,1H3,(H,50,60)(H,53,59)(H,54,63)(H,55,61)(H,56,62)(H,57,64)(H4,48,49,51)/t35-,36-,37-,38+,39-,40-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I-C5a] from C5a receptor in human PBMC by scintillation counting


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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 140n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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/a 140n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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/a 140n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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 140n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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/a 155n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322643
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinoprop...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)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/C37H55N9O9/c1-20(2)17-28(33(51)42-21(3)31(49)43-27(36(54)55)11-8-16-41-37(39)40)45-35(53)30(22(4)47)46-34(52)29(19-24-12-14-25(48)15-13-24)44-32(50)26(38)18-23-9-6-5-7-10-23/h5-7,9-10,12-15,20-22,26-30,47-48H,8,11,16-19,38H2,1-4H3,(H,42,51)(H,43,49)(H,44,50)(H,45,53)(H,46,52)(H,54,55)(H4,39,40,41)/t21-,22+,26-,27-,28-,29-,30-/m0/s1
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n/an/a 166n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322643
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinoprop...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)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/C37H55N9O9/c1-20(2)17-28(33(51)42-21(3)31(49)43-27(36(54)55)11-8-16-41-37(39)40)45-35(53)30(22(4)47)46-34(52)29(19-24-12-14-25(48)15-13-24)44-32(50)26(38)18-23-9-6-5-7-10-23/h5-7,9-10,12-15,20-22,26-30,47-48H,8,11,16-19,38H2,1-4H3,(H,42,51)(H,43,49)(H,44,50)(H,45,53)(H,46,52)(H,54,55)(H4,39,40,41)/t21-,22+,26-,27-,28-,29-,30-/m0/s1
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n/an/a 166n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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/a 229n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322653
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-8-(cyclohexylmethy...)
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](CC1CCCCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C37H61N9O8/c1-21(2)18-28(44-32(49)26(38)19-24-12-7-5-8-13-24)34(51)46-30(23(4)47)35(52)45-29(20-25-14-9-6-10-15-25)33(50)42-22(3)31(48)43-27(36(53)54)16-11-17-41-37(39)40/h5,7-8,12-13,21-23,25-30,47H,6,9-11,14-20,38H2,1-4H3,(H,42,50)(H,43,48)(H,44,49)(H,45,52)(H,46,51)(H,53,54)(H4,39,40,41)/t22-,23+,26-,27-,28-,29-,30-/m0/s1
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n/an/a 240n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322653
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-8-(cyclohexylmethy...)
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](CC1CCCCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C37H61N9O8/c1-21(2)18-28(44-32(49)26(38)19-24-12-7-5-8-13-24)34(51)46-30(23(4)47)35(52)45-29(20-25-14-9-6-10-15-25)33(50)42-22(3)31(48)43-27(36(53)54)16-11-17-41-37(39)40/h5,7-8,12-13,21-23,25-30,47H,6,9-11,14-20,38H2,1-4H3,(H,42,50)(H,43,48)(H,44,49)(H,45,52)(H,46,51)(H,53,54)(H4,39,40,41)/t22-,23+,26-,27-,28-,29-,30-/m0/s1
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n/an/a 240n/an/an/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322653
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-8-(cyclohexylmethy...)
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](CC1CCCCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C37H61N9O8/c1-21(2)18-28(44-32(49)26(38)19-24-12-7-5-8-13-24)34(51)46-30(23(4)47)35(52)45-29(20-25-14-9-6-10-15-25)33(50)42-22(3)31(48)43-27(36(53)54)16-11-17-41-37(39)40/h5,7-8,12-13,21-23,25-30,47H,6,9-11,14-20,38H2,1-4H3,(H,42,50)(H,43,48)(H,44,49)(H,45,52)(H,46,51)(H,53,54)(H4,39,40,41)/t22-,23+,26-,27-,28-,29-,30-/m0/s1
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n/an/a 240n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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/a 245n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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/a 245n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322617
PNG
((3S,6S,9S,12R,15R,18S,21S,24S)-3-((2S,5S,8S,11S,14...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)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](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C76H123N17O20S2/c1-37(2)23-48(86-74(110)61(44(14)95)92-69(105)52(27-41(9)10)82-63(99)47(77)30-46-32-78-36-79-46)64(100)80-43(13)62(98)81-53(31-60(96)97)68(104)84-49(24-38(3)4)65(101)83-51(26-40(7)8)67(103)90-58(35-115)72(108)91-57(34-114)71(107)85-50(25-39(5)6)66(102)89-56(33-94)70(106)87-54(28-42(11)12)75(111)93-22-18-21-59(93)73(109)88-55(76(112)113)29-45-19-16-15-17-20-45/h15-17,19-20,32,36-44,47-59,61,94-95,114-115H,18,21-31,33-35,77H2,1-14H3,(H,78,79)(H,80,100)(H,81,98)(H,82,99)(H,83,101)(H,84,104)(H,85,107)(H,86,110)(H,87,106)(H,88,109)(H,89,102)(H,90,103)(H,91,108)(H,92,105)(H,96,97)(H,112,113)/t43-,44+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,61-/m0/s1
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n/an/a 250n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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/a 275n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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/a 275n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50322617
PNG
((3S,6S,9S,12R,15R,18S,21S,24S)-3-((2S,5S,8S,11S,14...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)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](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C76H123N17O20S2/c1-37(2)23-48(86-74(110)61(44(14)95)92-69(105)52(27-41(9)10)82-63(99)47(77)30-46-32-78-36-79-46)64(100)80-43(13)62(98)81-53(31-60(96)97)68(104)84-49(24-38(3)4)65(101)83-51(26-40(7)8)67(103)90-58(35-115)72(108)91-57(34-114)71(107)85-50(25-39(5)6)66(102)89-56(33-94)70(106)87-54(28-42(11)12)75(111)93-22-18-21-59(93)73(109)88-55(76(112)113)29-45-19-16-15-17-20-45/h15-17,19-20,32,36-44,47-59,61,94-95,114-115H,18,21-31,33-35,77H2,1-14H3,(H,78,79)(H,80,100)(H,81,98)(H,82,99)(H,83,101)(H,84,104)(H,85,107)(H,86,110)(H,87,106)(H,88,109)(H,89,102)(H,90,103)(H,91,108)(H,92,105)(H,96,97)(H,112,113)/t43-,44+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,61-/m0/s1
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n/an/a 560n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I-C5a] from C5a receptor in human PBMC by scintillation counting


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50322617
PNG
((3S,6S,9S,12R,15R,18S,21S,24S)-3-((2S,5S,8S,11S,14...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)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](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C76H123N17O20S2/c1-37(2)23-48(86-74(110)61(44(14)95)92-69(105)52(27-41(9)10)82-63(99)47(77)30-46-32-78-36-79-46)64(100)80-43(13)62(98)81-53(31-60(96)97)68(104)84-49(24-38(3)4)65(101)83-51(26-40(7)8)67(103)90-58(35-115)72(108)91-57(34-114)71(107)85-50(25-39(5)6)66(102)89-56(33-94)70(106)87-54(28-42(11)12)75(111)93-22-18-21-59(93)73(109)88-55(76(112)113)29-45-19-16-15-17-20-45/h15-17,19-20,32,36-44,47-59,61,94-95,114-115H,18,21-31,33-35,77H2,1-14H3,(H,78,79)(H,80,100)(H,81,98)(H,82,99)(H,83,101)(H,84,104)(H,85,107)(H,86,110)(H,87,106)(H,88,109)(H,89,102)(H,90,103)(H,91,108)(H,92,105)(H,96,97)(H,112,113)/t43-,44+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,61-/m0/s1
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n/an/a 560n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I-C5a] from C5a receptor in human PBMC by scintillation counting


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322619
PNG
((3S,6S,9S,12S,15S)-15-amino-6-(4-aminobutyl)-9-ben...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)N(C)C(=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/C57H88N14O15S/c1-32(2)27-41(49(78)63-33(3)47(76)66-40(56(85)86)16-11-24-62-57(60)61)68-52(81)44-17-12-25-71(44)55(84)39(22-26-87-5)65-53(82)45(30-46(74)75)70(4)54(83)38(15-9-10-23-58)64-50(79)42(29-34-13-7-6-8-14-34)67-51(80)43(31-72)69-48(77)37(59)28-35-18-20-36(73)21-19-35/h6-8,13-14,18-21,32-33,37-45,72-73H,9-12,15-17,22-31,58-59H2,1-5H3,(H,63,78)(H,64,79)(H,65,82)(H,66,76)(H,67,80)(H,68,81)(H,69,77)(H,74,75)(H,85,86)(H4,60,61,62)/t33-,37+,38+,39+,40+,41+,42+,43+,44+,45+/m1/s1
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n/an/a 740n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322619
PNG
((3S,6S,9S,12S,15S)-15-amino-6-(4-aminobutyl)-9-ben...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)N(C)C(=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/C57H88N14O15S/c1-32(2)27-41(49(78)63-33(3)47(76)66-40(56(85)86)16-11-24-62-57(60)61)68-52(81)44-17-12-25-71(44)55(84)39(22-26-87-5)65-53(82)45(30-46(74)75)70(4)54(83)38(15-9-10-23-58)64-50(79)42(29-34-13-7-6-8-14-34)67-51(80)43(31-72)69-48(77)37(59)28-35-18-20-36(73)21-19-35/h6-8,13-14,18-21,32-33,37-45,72-73H,9-12,15-17,22-31,58-59H2,1-5H3,(H,63,78)(H,64,79)(H,65,82)(H,66,76)(H,67,80)(H,68,81)(H,69,77)(H,74,75)(H,85,86)(H4,60,61,62)/t33-,37+,38+,39+,40+,41+,42+,43+,44+,45+/m1/s1
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n/an/a 740n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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 1.30E+3n/an/an/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50322655
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-2-((1H-indo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C86H128N22O21/c1-12-43(5)67(82(125)103-63(85(128)129)38-52-41-94-57-29-20-18-27-54(52)57)105-73(116)47(9)96-78(121)62(39-64(89)111)102-81(124)68(44(6)13-2)106-84(127)70(49(11)110)107-77(120)59(31-23-35-92-86(90)91)99-76(119)58(30-21-22-34-87)98-71(114)45(7)95-75(118)60(32-33-65(112)113)100-79(122)61(36-50-24-15-14-16-25-50)101-72(115)46(8)97-83(126)69(48(10)109)108-80(123)66(42(3)4)104-74(117)55(88)37-51-40-93-56-28-19-17-26-53(51)56/h14-20,24-29,40-49,55,58-63,66-70,93-94,109-110H,12-13,21-23,30-39,87-88H2,1-11H3,(H2,89,111)(H,95,118)(H,96,121)(H,97,126)(H,98,114)(H,99,119)(H,100,122)(H,101,115)(H,102,124)(H,103,125)(H,104,117)(H,105,116)(H,106,127)(H,107,120)(H,108,123)(H,112,113)(H,128,129)(H4,90,91,92)/t43-,44-,45-,46-,47-,48+,49+,55-,58-,59-,60-,61-,62-,63-,66-,67-,68-,69-,70-/m0/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I-C5a] from C5a receptor in human PBMC by scintillation counting


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322655
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-2-((1H-indo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C86H128N22O21/c1-12-43(5)67(82(125)103-63(85(128)129)38-52-41-94-57-29-20-18-27-54(52)57)105-73(116)47(9)96-78(121)62(39-64(89)111)102-81(124)68(44(6)13-2)106-84(127)70(49(11)110)107-77(120)59(31-23-35-92-86(90)91)99-76(119)58(30-21-22-34-87)98-71(114)45(7)95-75(118)60(32-33-65(112)113)100-79(122)61(36-50-24-15-14-16-25-50)101-72(115)46(8)97-83(126)69(48(10)109)108-80(123)66(42(3)4)104-74(117)55(88)37-51-40-93-56-28-19-17-26-53(51)56/h14-20,24-29,40-49,55,58-63,66-70,93-94,109-110H,12-13,21-23,30-39,87-88H2,1-11H3,(H2,89,111)(H,95,118)(H,96,121)(H,97,126)(H,98,114)(H,99,119)(H,100,122)(H,101,115)(H,102,124)(H,103,125)(H,104,117)(H,105,116)(H,106,127)(H,107,120)(H,108,123)(H,112,113)(H,128,129)(H4,90,91,92)/t43-,44-,45-,46-,47-,48+,49+,55-,58-,59-,60-,61-,62-,63-,66-,67-,68-,69-,70-/m0/s1
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n/an/a 1.59E+3n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50322655
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-2-((1H-indo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C86H128N22O21/c1-12-43(5)67(82(125)103-63(85(128)129)38-52-41-94-57-29-20-18-27-54(52)57)105-73(116)47(9)96-78(121)62(39-64(89)111)102-81(124)68(44(6)13-2)106-84(127)70(49(11)110)107-77(120)59(31-23-35-92-86(90)91)99-76(119)58(30-21-22-34-87)98-71(114)45(7)95-75(118)60(32-33-65(112)113)100-79(122)61(36-50-24-15-14-16-25-50)101-72(115)46(8)97-83(126)69(48(10)109)108-80(123)66(42(3)4)104-74(117)55(88)37-51-40-93-56-28-19-17-26-53(51)56/h14-20,24-29,40-49,55,58-63,66-70,93-94,109-110H,12-13,21-23,30-39,87-88H2,1-11H3,(H2,89,111)(H,95,118)(H,96,121)(H,97,126)(H,98,114)(H,99,119)(H,100,122)(H,101,115)(H,102,124)(H,103,125)(H,104,117)(H,105,116)(H,106,127)(H,107,120)(H,108,123)(H,112,113)(H,128,129)(H4,90,91,92)/t43-,44-,45-,46-,47-,48+,49+,55-,58-,59-,60-,61-,62-,63-,66-,67-,68-,69-,70-/m0/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I-C5a] from C5a receptor in human PBMC by scintillation counting


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322655
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-2-((1H-indo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C86H128N22O21/c1-12-43(5)67(82(125)103-63(85(128)129)38-52-41-94-57-29-20-18-27-54(52)57)105-73(116)47(9)96-78(121)62(39-64(89)111)102-81(124)68(44(6)13-2)106-84(127)70(49(11)110)107-77(120)59(31-23-35-92-86(90)91)99-76(119)58(30-21-22-34-87)98-71(114)45(7)95-75(118)60(32-33-65(112)113)100-79(122)61(36-50-24-15-14-16-25-50)101-72(115)46(8)97-83(126)69(48(10)109)108-80(123)66(42(3)4)104-74(117)55(88)37-51-40-93-56-28-19-17-26-53(51)56/h14-20,24-29,40-49,55,58-63,66-70,93-94,109-110H,12-13,21-23,30-39,87-88H2,1-11H3,(H2,89,111)(H,95,118)(H,96,121)(H,97,126)(H,98,114)(H,99,119)(H,100,122)(H,101,115)(H,102,124)(H,103,125)(H,104,117)(H,105,116)(H,106,127)(H,107,120)(H,108,123)(H,112,113)(H,128,129)(H4,90,91,92)/t43-,44-,45-,46-,47-,48+,49+,55-,58-,59-,60-,61-,62-,63-,66-,67-,68-,69-,70-/m0/s1
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n/an/a 1.59E+3n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
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 2.00E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I-C5a] from C5a receptor in human PBMC by scintillation counting


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
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 2.00E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I-C5a] from C5a receptor in human PBMC by scintillation counting


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
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/a 4.70E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I-C5a] from C5a receptor in human PBMC by scintillation counting


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
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/a 4.70E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I-C5a] from C5a receptor in human PBMC by scintillation counting


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322623
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)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C29H51N11O7/c1-15(2)9-21(40-25(43)19(30)11-18-12-33-14-36-18)26(44)35-13-23(41)38-22(10-16(3)4)27(45)37-17(5)24(42)39-20(28(46)47)7-6-8-34-29(31)32/h12,14-17,19-22H,6-11,13,30H2,1-5H3,(H,33,36)(H,35,44)(H,37,45)(H,38,41)(H,39,42)(H,40,43)(H,46,47)(H4,31,32,34)/t17-,19-,20-,21-,22-/m0/s1
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n/an/a 5.90E+3n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322623
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)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C29H51N11O7/c1-15(2)9-21(40-25(43)19(30)11-18-12-33-14-36-18)26(44)35-13-23(41)38-22(10-16(3)4)27(45)37-17(5)24(42)39-20(28(46)47)7-6-8-34-29(31)32/h12,14-17,19-22H,6-11,13,30H2,1-5H3,(H,33,36)(H,35,44)(H,37,45)(H,38,41)(H,39,42)(H,40,43)(H,46,47)(H4,31,32,34)/t17-,19-,20-,21-,22-/m0/s1
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n/an/a 5.90E+3n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322651
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)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C30H53N11O7/c1-15(2)10-22(27(45)37-17(5)24(42)39-21(29(47)48)8-7-9-35-30(32)33)40-25(43)18(6)38-28(46)23(11-16(3)4)41-26(44)20(31)12-19-13-34-14-36-19/h13-18,20-23H,7-12,31H2,1-6H3,(H,34,36)(H,37,45)(H,38,46)(H,39,42)(H,40,43)(H,41,44)(H,47,48)(H4,32,33,35)/t17-,18-,20-,21-,22-,23-/m0/s1
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n/an/a 6.30E+3n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322651
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)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C30H53N11O7/c1-15(2)10-22(27(45)37-17(5)24(42)39-21(29(47)48)8-7-9-35-30(32)33)40-25(43)18(6)38-28(46)23(11-16(3)4)41-26(44)20(31)12-19-13-34-14-36-19/h13-18,20-23H,7-12,31H2,1-6H3,(H,34,36)(H,37,45)(H,38,46)(H,39,42)(H,40,43)(H,41,44)(H,47,48)(H4,32,33,35)/t17-,18-,20-,21-,22-,23-/m0/s1
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n/an/a 6.30E+3n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322654
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](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C31H51N9O9/c1-16(2)13-22(38-26(44)20(32)14-19-9-6-5-7-10-19)27(45)40-24(18(4)42)29(47)39-23(15-41)28(46)36-17(3)25(43)37-21(30(48)49)11-8-12-35-31(33)34/h5-7,9-10,16-18,20-24,41-42H,8,11-15,32H2,1-4H3,(H,36,46)(H,37,43)(H,38,44)(H,39,47)(H,40,45)(H,48,49)(H4,33,34,35)/t17-,18+,20-,21-,22-,23-,24-/m0/s1
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n/an/a 7.94E+3n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322654
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](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C31H51N9O9/c1-16(2)13-22(38-26(44)20(32)14-19-9-6-5-7-10-19)27(45)40-24(18(4)42)29(47)39-23(15-41)28(46)36-17(3)25(43)37-21(30(48)49)11-8-12-35-31(33)34/h5-7,9-10,16-18,20-24,41-42H,8,11-15,32H2,1-4H3,(H,36,46)(H,37,43)(H,38,44)(H,39,47)(H,40,45)(H,48,49)(H4,33,34,35)/t17-,18+,20-,21-,22-,23-,24-/m0/s1
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n/an/a 7.94E+3n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322616
PNG
((S)-2-((S)-1-((S)-2-((S)-1-((S)-2-amino-3-(1H-indo...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C33H49N9O6/c1-19(2)16-25(31(46)42-15-7-12-27(42)28(43)39-24(32(47)48)10-5-13-37-33(35)36)40-29(44)26-11-6-14-41(26)30(45)22(34)17-20-18-38-23-9-4-3-8-21(20)23/h3-4,8-9,18-19,22,24-27,38H,5-7,10-17,34H2,1-2H3,(H,39,43)(H,40,44)(H,47,48)(H4,35,36,37)/t22-,24-,25-,26-,27-/m0/s1
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n/an/a 2.70E+4n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322616
PNG
((S)-2-((S)-1-((S)-2-((S)-1-((S)-2-amino-3-(1H-indo...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C33H49N9O6/c1-19(2)16-25(31(46)42-15-7-12-27(42)28(43)39-24(32(47)48)10-5-13-37-33(35)36)40-29(44)26-11-6-14-41(26)30(45)22(34)17-20-18-38-23-9-4-3-8-21(20)23/h3-4,8-9,18-19,22,24-27,38H,5-7,10-17,34H2,1-2H3,(H,39,43)(H,40,44)(H,47,48)(H4,35,36,37)/t22-,24-,25-,26-,27-/m0/s1
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n/an/a 2.70E+4n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50322619
PNG
((3S,6S,9S,12S,15S)-15-amino-6-(4-aminobutyl)-9-ben...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)N(C)C(=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/C57H88N14O15S/c1-32(2)27-41(49(78)63-33(3)47(76)66-40(56(85)86)16-11-24-62-57(60)61)68-52(81)44-17-12-25-71(44)55(84)39(22-26-87-5)65-53(82)45(30-46(74)75)70(4)54(83)38(15-9-10-23-58)64-50(79)42(29-34-13-7-6-8-14-34)67-51(80)43(31-72)69-48(77)37(59)28-35-18-20-36(73)21-19-35/h6-8,13-14,18-21,32-33,37-45,72-73H,9-12,15-17,22-31,58-59H2,1-5H3,(H,63,78)(H,64,79)(H,65,82)(H,66,76)(H,67,80)(H,68,81)(H,69,77)(H,74,75)(H,85,86)(H4,60,61,62)/t33-,37+,38+,39+,40+,41+,42+,43+,44+,45+/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I-C5a] from C5a receptor in human PBMC by scintillation counting


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50322619
PNG
((3S,6S,9S,12S,15S)-15-amino-6-(4-aminobutyl)-9-ben...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)N(C)C(=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/C57H88N14O15S/c1-32(2)27-41(49(78)63-33(3)47(76)66-40(56(85)86)16-11-24-62-57(60)61)68-52(81)44-17-12-25-71(44)55(84)39(22-26-87-5)65-53(82)45(30-46(74)75)70(4)54(83)38(15-9-10-23-58)64-50(79)42(29-34-13-7-6-8-14-34)67-51(80)43(31-72)69-48(77)37(59)28-35-18-20-36(73)21-19-35/h6-8,13-14,18-21,32-33,37-45,72-73H,9-12,15-17,22-31,58-59H2,1-5H3,(H,63,78)(H,64,79)(H,65,82)(H,66,76)(H,67,80)(H,68,81)(H,69,77)(H,74,75)(H,85,86)(H4,60,61,62)/t33-,37+,38+,39+,40+,41+,42+,43+,44+,45+/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I-C5a] from C5a receptor in human PBMC by scintillation counting


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322636
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-a...)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)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/C35H58N10O7/c1-3-4-14-25(31(48)41-22(2)29(46)44-27(34(51)52)16-10-19-40-35(38)39)42-32(49)28-17-11-20-45(28)33(50)26(15-8-9-18-36)43-30(47)24(37)21-23-12-6-5-7-13-23/h5-7,12-13,22,24-28H,3-4,8-11,14-21,36-37H2,1-2H3,(H,41,48)(H,42,49)(H,43,47)(H,44,46)(H,51,52)(H4,38,39,40)/t22-,24-,25-,26-,27-,28-/m0/s1
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n/an/an/an/a 3.80E+4n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322659
PNG
((S)-2-((S)-1-((S)-2-((2S,3R)-2-((S)-2-((S)-2-amino...)
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)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C36H59N9O8/c1-20(2)17-26(42-30(47)24(37)19-23-11-7-6-8-12-23)31(48)44-29(22(5)46)33(50)43-27(18-21(3)4)34(51)45-16-10-14-28(45)32(49)41-25(35(52)53)13-9-15-40-36(38)39/h6-8,11-12,20-22,24-29,46H,9-10,13-19,37H2,1-5H3,(H,41,49)(H,42,47)(H,43,50)(H,44,48)(H,52,53)(H4,38,39,40)/t22-,24+,25+,26+,27+,28+,29+/m1/s1
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n/an/an/an/a 2.88E+4n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322643
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinoprop...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)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/C37H55N9O9/c1-20(2)17-28(33(51)42-21(3)31(49)43-27(36(54)55)11-8-16-41-37(39)40)45-35(53)30(22(4)47)46-34(52)29(19-24-12-14-25(48)15-13-24)44-32(50)26(38)18-23-9-6-5-7-10-23/h5-7,9-10,12-15,20-22,26-30,47-48H,8,11,16-19,38H2,1-4H3,(H,42,51)(H,43,49)(H,44,50)(H,45,53)(H,46,52)(H,54,55)(H4,39,40,41)/t21-,22+,26-,27-,28-,29-,30-/m0/s1
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n/an/an/an/a 4.80E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322622
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](Cc1cnc[nH]1)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/C54H86N16O13S/c1-30(2)24-39(46(75)62-31(3)44(73)65-38(53(82)83)11-7-20-60-54(57)58)67-50(79)43-13-9-22-70(43)52(81)37(18-23-84-4)64-49(78)42-12-8-21-69(42)51(80)36(10-5-6-19-55)63-47(76)40(26-33-27-59-29-61-33)66-48(77)41(28-71)68-45(74)35(56)25-32-14-16-34(72)17-15-32/h14-17,27,29-31,35-43,71-72H,5-13,18-26,28,55-56H2,1-4H3,(H,59,61)(H,62,75)(H,63,76)(H,64,78)(H,65,73)(H,66,77)(H,67,79)(H,68,74)(H,82,83)(H4,57,58,60)/t31-,35+,36+,37+,38+,39+,40+,41+,42+,43+/m1/s1
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n/an/an/an/a 5.70E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322623
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)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C29H51N11O7/c1-15(2)9-21(40-25(43)19(30)11-18-12-33-14-36-18)26(44)35-13-23(41)38-22(10-16(3)4)27(45)37-17(5)24(42)39-20(28(46)47)7-6-8-34-29(31)32/h12,14-17,19-22H,6-11,13,30H2,1-5H3,(H,33,36)(H,35,44)(H,37,45)(H,38,41)(H,39,42)(H,40,43)(H,46,47)(H4,31,32,34)/t17-,19-,20-,21-,22-/m0/s1
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n/an/an/an/a 3.80E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322642
PNG
((6S,9S,12S,15S,18S)-1,23-diamino-18-((S)-2-amino-3...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)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/C34H58N12O8/c1-18(2)16-25(30(51)42-19(3)27(48)44-24(32(53)54)13-9-15-41-34(38)39)45-31(52)26(20(4)47)46-29(50)23(12-8-14-40-33(36)37)43-28(49)22(35)17-21-10-6-5-7-11-21/h5-7,10-11,18-20,22-26,47H,8-9,12-17,35H2,1-4H3,(H,42,51)(H,43,49)(H,44,48)(H,45,52)(H,46,50)(H,53,54)(H4,36,37,40)(H4,38,39,41)/t19-,20+,22-,23-,24-,25-,26-/m0/s1
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n/an/an/an/a 6.80E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322658
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-8-butyl-2-(3-guani...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[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/C34H57N9O8/c1-6-7-14-24(30(47)39-20(4)28(45)41-25(33(50)51)15-11-16-38-34(36)37)40-32(49)27(21(5)44)43-31(48)26(17-19(2)3)42-29(46)23(35)18-22-12-9-8-10-13-22/h8-10,12-13,19-21,23-27,44H,6-7,11,14-18,35H2,1-5H3,(H,39,47)(H,40,49)(H,41,45)(H,42,46)(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 2.63E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322655
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-2-((1H-indo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C86H128N22O21/c1-12-43(5)67(82(125)103-63(85(128)129)38-52-41-94-57-29-20-18-27-54(52)57)105-73(116)47(9)96-78(121)62(39-64(89)111)102-81(124)68(44(6)13-2)106-84(127)70(49(11)110)107-77(120)59(31-23-35-92-86(90)91)99-76(119)58(30-21-22-34-87)98-71(114)45(7)95-75(118)60(32-33-65(112)113)100-79(122)61(36-50-24-15-14-16-25-50)101-72(115)46(8)97-83(126)69(48(10)109)108-80(123)66(42(3)4)104-74(117)55(88)37-51-40-93-56-28-19-17-26-53(51)56/h14-20,24-29,40-49,55,58-63,66-70,93-94,109-110H,12-13,21-23,30-39,87-88H2,1-11H3,(H2,89,111)(H,95,118)(H,96,121)(H,97,126)(H,98,114)(H,99,119)(H,100,122)(H,101,115)(H,102,124)(H,103,125)(H,104,117)(H,105,116)(H,106,127)(H,107,120)(H,108,123)(H,112,113)(H,128,129)(H4,90,91,92)/t43-,44-,45-,46-,47-,48+,49+,55-,58-,59-,60-,61-,62-,63-,66-,67-,68-,69-,70-/m0/s1
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n/an/an/an/a 2.51E+4n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322624
PNG
((S)-1-((S)-6-amino-2-((S)-2-amino-3-phenylpropanam...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C44H73N11O6/c45-23-11-10-20-34(52-39(57)32(46)26-29-14-4-1-5-15-29)43(61)55-25-13-22-37(55)42(60)54-36(28-31-18-8-3-9-19-31)41(59)53-35(27-30-16-6-2-7-17-30)40(58)51-33(38(47)56)21-12-24-50-44(48)49/h1,4-5,14-15,30-37H,2-3,6-13,16-28,45-46H2,(H2,47,56)(H,51,58)(H,52,57)(H,53,59)(H,54,60)(H4,48,49,50)/t32-,33+,34-,35-,36+,37-/m0/s1
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n/an/an/an/a 2.20E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322622
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](Cc1cnc[nH]1)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/C54H86N16O13S/c1-30(2)24-39(46(75)62-31(3)44(73)65-38(53(82)83)11-7-20-60-54(57)58)67-50(79)43-13-9-22-70(43)52(81)37(18-23-84-4)64-49(78)42-12-8-21-69(42)51(80)36(10-5-6-19-55)63-47(76)40(26-33-27-59-29-61-33)66-48(77)41(28-71)68-45(74)35(56)25-32-14-16-34(72)17-15-32/h14-17,27,29-31,35-43,71-72H,5-13,18-26,28,55-56H2,1-4H3,(H,59,61)(H,62,75)(H,63,76)(H,64,78)(H,65,73)(H,66,77)(H,67,79)(H,68,74)(H,82,83)(H4,57,58,60)/t31-,35+,36+,37+,38+,39+,40+,41+,42+,43+/m1/s1
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n/an/an/an/a 5.70E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322630
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-5-amino-2-((S)-2-a...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)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/C34H54N10O8/c1-19(2)17-25(30(48)40-20(3)28(46)42-24(33(51)52)11-7-15-39-34(37)38)43-31(49)26-12-8-16-44(26)32(50)23(13-14-27(36)45)41-29(47)22(35)18-21-9-5-4-6-10-21/h4-6,9-10,19-20,22-26H,7-8,11-18,35H2,1-3H3,(H2,36,45)(H,40,48)(H,41,47)(H,42,46)(H,43,49)(H,51,52)(H4,37,38,39)/t20-,22-,23-,24-,25-,26-/m0/s1
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n/an/an/an/a 5.30E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322639
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinoprop...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)CCc1ccccc1)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/C35H59N9O8/c1-19(2)17-26(31(48)40-21(5)29(46)41-25(34(51)52)13-10-16-39-35(37)38)43-33(50)28(22(6)45)44-32(49)27(18-20(3)4)42-30(47)24(36)15-14-23-11-8-7-9-12-23/h7-9,11-12,19-22,24-28,45H,10,13-18,36H2,1-6H3,(H,40,48)(H,41,46)(H,42,47)(H,43,50)(H,44,49)(H,51,52)(H4,37,38,39)/t21-,22+,24-,25-,26-,27-,28-/m0/s1
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n/an/an/an/a 1.10E+4n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322635
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-14-(4-aminobutyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)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/C34H58N10O8/c1-19(2)17-26(31(49)40-20(3)28(46)42-25(33(51)52)14-10-16-39-34(37)38)43-32(50)27(21(4)45)44-30(48)24(13-8-9-15-35)41-29(47)23(36)18-22-11-6-5-7-12-22/h5-7,11-12,19-21,23-27,45H,8-10,13-18,35-36H2,1-4H3,(H,40,49)(H,41,47)(H,42,46)(H,43,50)(H,44,48)(H,51,52)(H4,37,38,39)/t20-,21+,23-,24-,25-,26-,27-/m0/s1
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n/an/an/an/a 3.80E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322641
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinoprop...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[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/C34H57N9O9/c1-17(2)14-25(30(48)39-19(5)28(46)40-24(33(51)52)8-7-13-38-34(36)37)42-32(50)27(20(6)44)43-31(49)26(15-18(3)4)41-29(47)23(35)16-21-9-11-22(45)12-10-21/h9-12,17-20,23-27,44-45H,7-8,13-16,35H2,1-6H3,(H,39,48)(H,40,46)(H,41,47)(H,42,50)(H,43,49)(H,51,52)(H4,36,37,38)/t19-,20+,23-,24-,25-,26-,27-/m0/s1
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n/an/an/an/a 2.50E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50416364
PNG
(CHEMBL2021602)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C(C)C)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/C35H59N9O7/c1-19(2)16-26(31(47)40-22(7)29(45)41-25(34(50)51)14-11-15-39-35(37)38)43-33(49)28(21(5)6)44-32(48)27(17-20(3)4)42-30(46)24(36)18-23-12-9-8-10-13-23/h8-10,12-13,19-22,24-28H,11,14-18,36H2,1-7H3,(H,40,47)(H,41,45)(H,42,46)(H,43,49)(H,44,48)(H,50,51)(H4,37,38,39)/t22-,24-,25+,26-,27-,28-/m0/s1
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n/an/an/an/a 5.75E+4n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322617
PNG
((3S,6S,9S,12R,15R,18S,21S,24S)-3-((2S,5S,8S,11S,14...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)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](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C76H123N17O20S2/c1-37(2)23-48(86-74(110)61(44(14)95)92-69(105)52(27-41(9)10)82-63(99)47(77)30-46-32-78-36-79-46)64(100)80-43(13)62(98)81-53(31-60(96)97)68(104)84-49(24-38(3)4)65(101)83-51(26-40(7)8)67(103)90-58(35-115)72(108)91-57(34-114)71(107)85-50(25-39(5)6)66(102)89-56(33-94)70(106)87-54(28-42(11)12)75(111)93-22-18-21-59(93)73(109)88-55(76(112)113)29-45-19-16-15-17-20-45/h15-17,19-20,32,36-44,47-59,61,94-95,114-115H,18,21-31,33-35,77H2,1-14H3,(H,78,79)(H,80,100)(H,81,98)(H,82,99)(H,83,101)(H,84,104)(H,85,107)(H,86,110)(H,87,106)(H,88,109)(H,89,102)(H,90,103)(H,91,108)(H,92,105)(H,96,97)(H,112,113)/t43-,44+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,61-/m0/s1
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n/an/an/an/a 1.80E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322617
PNG
((3S,6S,9S,12R,15R,18S,21S,24S)-3-((2S,5S,8S,11S,14...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)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](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C76H123N17O20S2/c1-37(2)23-48(86-74(110)61(44(14)95)92-69(105)52(27-41(9)10)82-63(99)47(77)30-46-32-78-36-79-46)64(100)80-43(13)62(98)81-53(31-60(96)97)68(104)84-49(24-38(3)4)65(101)83-51(26-40(7)8)67(103)90-58(35-115)72(108)91-57(34-114)71(107)85-50(25-39(5)6)66(102)89-56(33-94)70(106)87-54(28-42(11)12)75(111)93-22-18-21-59(93)73(109)88-55(76(112)113)29-45-19-16-15-17-20-45/h15-17,19-20,32,36-44,47-59,61,94-95,114-115H,18,21-31,33-35,77H2,1-14H3,(H,78,79)(H,80,100)(H,81,98)(H,82,99)(H,83,101)(H,84,104)(H,85,107)(H,86,110)(H,87,106)(H,88,109)(H,89,102)(H,90,103)(H,91,108)(H,92,105)(H,96,97)(H,112,113)/t43-,44+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,61-/m0/s1
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n/an/an/an/a 1.80E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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/an/an/a 1.30E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322630
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-5-amino-2-((S)-2-a...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)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/C34H54N10O8/c1-19(2)17-25(30(48)40-20(3)28(46)42-24(33(51)52)11-7-15-39-34(37)38)43-31(49)26-12-8-16-44(26)32(50)23(13-14-27(36)45)41-29(47)22(35)18-21-9-5-4-6-10-21/h4-6,9-10,19-20,22-26H,7-8,11-18,35H2,1-3H3,(H2,36,45)(H,40,48)(H,41,47)(H,42,46)(H,43,49)(H,51,52)(H4,37,38,39)/t20-,22-,23-,24-,25-,26-/m0/s1
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n/an/an/an/a 5.30E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322632
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](CCc1ccccc1)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/C39H57N9O7/c1-24(2)22-31(35(51)44-25(3)33(49)46-30(38(54)55)16-10-20-43-39(41)42)47-36(52)32-17-11-21-48(32)37(53)29(19-18-26-12-6-4-7-13-26)45-34(50)28(40)23-27-14-8-5-9-15-27/h4-9,12-15,24-25,28-32H,10-11,16-23,40H2,1-3H3,(H,44,51)(H,45,50)(H,46,49)(H,47,52)(H,54,55)(H4,41,42,43)/t25-,28-,29-,30-,31-,32-/m0/s1
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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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322627
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino-3-p...)
Show SMILES CCCC[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](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C35H57N9O7/c1-5-6-14-25(41-30(46)24(36)20-23-12-8-7-9-13-23)33(49)44-18-11-16-28(44)32(48)43-27(19-21(2)3)31(47)40-22(4)29(45)42-26(34(50)51)15-10-17-39-35(37)38/h7-9,12-13,21-22,24-28H,5-6,10-11,14-20,36H2,1-4H3,(H,40,47)(H,41,46)(H,42,45)(H,43,48)(H,50,51)(H4,37,38,39)/t22-,24-,25-,26-,27-,28-/m0/s1
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n/an/an/an/a 1.80E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322625
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-a...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)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/C35H58N10O7/c1-21(2)19-27(31(48)41-22(3)29(46)43-26(34(51)52)14-9-17-40-35(38)39)44-32(49)28-15-10-18-45(28)33(50)25(13-7-8-16-36)42-30(47)24(37)20-23-11-5-4-6-12-23/h4-6,11-12,21-22,24-28H,7-10,13-20,36-37H2,1-3H3,(H,41,48)(H,42,47)(H,43,46)(H,44,49)(H,51,52)(H4,38,39,40)/t22-,24-,25-,26-,27-,28-/m0/s1
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n/an/an/an/a 3.30E+4n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322627
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino-3-p...)
Show SMILES CCCC[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](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C35H57N9O7/c1-5-6-14-25(41-30(46)24(36)20-23-12-8-7-9-13-23)33(49)44-18-11-16-28(44)32(48)43-27(19-21(2)3)31(47)40-22(4)29(45)42-26(34(50)51)15-10-17-39-35(37)38/h7-9,12-13,21-22,24-28H,5-6,10-11,14-20,36H2,1-4H3,(H,40,47)(H,41,46)(H,42,45)(H,43,48)(H,50,51)(H4,37,38,39)/t22-,24-,25-,26-,27-,28-/m0/s1
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n/an/an/an/a 1.80E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322637
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-a...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C43H63N11O7/c1-26(2)22-34(38(56)52-35(24-28-25-49-31-15-7-6-14-29(28)31)39(57)51-33(42(60)61)17-10-20-48-43(46)47)53-40(58)36-18-11-21-54(36)41(59)32(16-8-9-19-44)50-37(55)30(45)23-27-12-4-3-5-13-27/h3-7,12-15,25-26,30,32-36,49H,8-11,16-24,44-45H2,1-2H3,(H,50,55)(H,51,57)(H,52,56)(H,53,58)(H,60,61)(H4,46,47,48)/t30-,32-,33-,34-,35-,36-/m0/s1
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n/an/an/an/a 2.50E+4n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322624
PNG
((S)-1-((S)-6-amino-2-((S)-2-amino-3-phenylpropanam...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C44H73N11O6/c45-23-11-10-20-34(52-39(57)32(46)26-29-14-4-1-5-15-29)43(61)55-25-13-22-37(55)42(60)54-36(28-31-18-8-3-9-19-31)41(59)53-35(27-30-16-6-2-7-17-30)40(58)51-33(38(47)56)21-12-24-50-44(48)49/h1,4-5,14-15,30-37H,2-3,6-13,16-28,45-46H2,(H2,47,56)(H,51,58)(H,52,57)(H,53,59)(H,54,60)(H4,48,49,50)/t32-,33+,34-,35-,36+,37-/m0/s1
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n/an/an/an/a 2.20E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322641
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinoprop...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[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/C34H57N9O9/c1-17(2)14-25(30(48)39-19(5)28(46)40-24(33(51)52)8-7-13-38-34(36)37)42-32(50)27(20(6)44)43-31(49)26(15-18(3)4)41-29(47)23(35)16-21-9-11-22(45)12-10-21/h9-12,17-20,23-27,44-45H,7-8,13-16,35H2,1-6H3,(H,39,48)(H,40,46)(H,41,47)(H,42,50)(H,43,49)(H,51,52)(H4,36,37,38)/t19-,20+,23-,24-,25-,26-,27-/m0/s1
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n/an/an/an/a 2.50E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50416364
PNG
(CHEMBL2021602)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C(C)C)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/C35H59N9O7/c1-19(2)16-26(31(47)40-22(7)29(45)41-25(34(50)51)14-11-15-39-35(37)38)43-33(49)28(21(5)6)44-32(48)27(17-20(3)4)42-30(46)24(36)18-23-12-9-8-10-13-23/h8-10,12-13,19-22,24-28H,11,14-18,36H2,1-7H3,(H,40,47)(H,41,45)(H,42,46)(H,43,49)(H,44,48)(H,50,51)(H4,37,38,39)/t22-,24-,25+,26-,27-,28-/m0/s1
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n/an/an/an/a 5.75E+4n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322646
PNG
((2S,5S,8S,11S,14S,17S)-14-((1H-indol-3-yl)methyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)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/C38H54N10O7/c1-21(2)17-30(35(52)44-22(3)32(49)46-29(37(54)55)15-10-16-42-38(40)41)47-33(50)23(4)45-36(53)31(19-25-20-43-28-14-9-8-13-26(25)28)48-34(51)27(39)18-24-11-6-5-7-12-24/h5-9,11-14,20-23,27,29-31,43H,10,15-19,39H2,1-4H3,(H,44,52)(H,45,53)(H,46,49)(H,47,50)(H,48,51)(H,54,55)(H4,40,41,42)/t22-,23-,27-,29-,30-,31-/m0/s1
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n/an/an/an/a 1.20E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322639
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinoprop...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)CCc1ccccc1)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/C35H59N9O8/c1-19(2)17-26(31(48)40-21(5)29(46)41-25(34(51)52)13-10-16-39-35(37)38)43-33(50)28(22(6)45)44-32(49)27(18-20(3)4)42-30(47)24(36)15-14-23-11-8-7-9-12-23/h7-9,11-12,19-22,24-28,45H,10,13-18,36H2,1-6H3,(H,40,48)(H,41,46)(H,42,47)(H,43,50)(H,44,49)(H,51,52)(H4,37,38,39)/t21-,22+,24-,25-,26-,27-,28-/m0/s1
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n/an/an/an/a 1.10E+4n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322625
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-a...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)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/C35H58N10O7/c1-21(2)19-27(31(48)41-22(3)29(46)43-26(34(51)52)14-9-17-40-35(38)39)44-32(49)28-15-10-18-45(28)33(50)25(13-7-8-16-36)42-30(47)24(37)20-23-11-5-4-6-12-23/h4-6,11-12,21-22,24-28H,7-10,13-20,36-37H2,1-3H3,(H,41,48)(H,42,47)(H,43,46)(H,44,49)(H,51,52)(H4,38,39,40)/t22-,24-,25-,26-,27-,28-/m0/s1
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n/an/an/an/a 3.30E+4n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322631
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](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C38H55N9O7/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/h4-9,12-15,23-24,27-31H,10-11,16-22,39H2,1-3H3,(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 5.40E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322635
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-14-(4-aminobutyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)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/C34H58N10O8/c1-19(2)17-26(31(49)40-20(3)28(46)42-25(33(51)52)14-10-16-39-34(37)38)43-32(50)27(21(4)45)44-30(48)24(13-8-9-15-35)41-29(47)23(36)18-22-11-6-5-7-12-22/h5-7,11-12,19-21,23-27,45H,8-10,13-18,35-36H2,1-4H3,(H,40,49)(H,41,47)(H,42,46)(H,43,50)(H,44,48)(H,51,52)(H4,37,38,39)/t20-,21+,23-,24-,25-,26-,27-/m0/s1
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n/an/an/an/a 3.80E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322646
PNG
((2S,5S,8S,11S,14S,17S)-14-((1H-indol-3-yl)methyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)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/C38H54N10O7/c1-21(2)17-30(35(52)44-22(3)32(49)46-29(37(54)55)15-10-16-42-38(40)41)47-33(50)23(4)45-36(53)31(19-25-20-43-28-14-9-8-13-26(25)28)48-34(51)27(39)18-24-11-6-5-7-12-24/h5-9,11-14,20-23,27,29-31,43H,10,15-19,39H2,1-4H3,(H,44,52)(H,45,53)(H,46,49)(H,47,50)(H,48,51)(H,54,55)(H4,40,41,42)/t22-,23-,27-,29-,30-,31-/m0/s1
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n/an/an/an/a 1.20E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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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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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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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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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322642
PNG
((6S,9S,12S,15S,18S)-1,23-diamino-18-((S)-2-amino-3...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)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/C34H58N12O8/c1-18(2)16-25(30(51)42-19(3)27(48)44-24(32(53)54)13-9-15-41-34(38)39)45-31(52)26(20(4)47)46-29(50)23(12-8-14-40-33(36)37)43-28(49)22(35)17-21-10-6-5-7-11-21/h5-7,10-11,18-20,22-26,47H,8-9,12-17,35H2,1-4H3,(H,42,51)(H,43,49)(H,44,48)(H,45,52)(H,46,50)(H,53,54)(H4,36,37,40)(H4,38,39,41)/t19-,20+,22-,23-,24-,25-,26-/m0/s1
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n/an/an/an/a 6.80E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322619
PNG
((3S,6S,9S,12S,15S)-15-amino-6-(4-aminobutyl)-9-ben...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)N(C)C(=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/C57H88N14O15S/c1-32(2)27-41(49(78)63-33(3)47(76)66-40(56(85)86)16-11-24-62-57(60)61)68-52(81)44-17-12-25-71(44)55(84)39(22-26-87-5)65-53(82)45(30-46(74)75)70(4)54(83)38(15-9-10-23-58)64-50(79)42(29-34-13-7-6-8-14-34)67-51(80)43(31-72)69-48(77)37(59)28-35-18-20-36(73)21-19-35/h6-8,13-14,18-21,32-33,37-45,72-73H,9-12,15-17,22-31,58-59H2,1-5H3,(H,63,78)(H,64,79)(H,65,82)(H,66,76)(H,67,80)(H,68,81)(H,69,77)(H,74,75)(H,85,86)(H4,60,61,62)/t33-,37+,38+,39+,40+,41+,42+,43+,44+,45+/m1/s1
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n/an/an/an/a 1.40E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322661
PNG
((S)-2-((S)-2-amino-3-phenylpropanamido)-N-((6S,9S,...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C34H58N10O7/c1-18(2)15-25(31(49)40-20(5)29(47)41-24(28(36)46)13-10-14-39-34(37)38)43-33(51)27(21(6)45)44-32(50)26(16-19(3)4)42-30(48)23(35)17-22-11-8-7-9-12-22/h7-9,11-12,18-21,23-27,45H,10,13-17,35H2,1-6H3,(H2,36,46)(H,40,49)(H,41,47)(H,42,48)(H,43,51)(H,44,50)(H4,37,38,39)/t20-,21+,23-,24-,25-,26-,27-/m0/s1
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n/an/an/an/a 3.63E+4n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322661
PNG
((S)-2-((S)-2-amino-3-phenylpropanamido)-N-((6S,9S,...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C34H58N10O7/c1-18(2)15-25(31(49)40-20(5)29(47)41-24(28(36)46)13-10-14-39-34(37)38)43-33(51)27(21(6)45)44-32(50)26(16-19(3)4)42-30(48)23(35)17-22-11-8-7-9-12-22/h7-9,11-12,18-21,23-27,45H,10,13-17,35H2,1-6H3,(H2,36,46)(H,40,49)(H,41,47)(H,42,48)(H,43,51)(H,44,50)(H4,37,38,39)/t20-,21+,23-,24-,25-,26-,27-/m0/s1
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n/an/an/an/a 3.63E+4n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322637
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-a...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C43H63N11O7/c1-26(2)22-34(38(56)52-35(24-28-25-49-31-15-7-6-14-29(28)31)39(57)51-33(42(60)61)17-10-20-48-43(46)47)53-40(58)36-18-11-21-54(36)41(59)32(16-8-9-19-44)50-37(55)30(45)23-27-12-4-3-5-13-27/h3-7,12-15,25-26,30,32-36,49H,8-11,16-24,44-45H2,1-2H3,(H,50,55)(H,51,57)(H,52,56)(H,53,58)(H,60,61)(H4,46,47,48)/t30-,32-,33-,34-,35-,36-/m0/s1
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n/an/an/an/a 2.50E+4n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322658
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-8-butyl-2-(3-guani...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[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/C34H57N9O8/c1-6-7-14-24(30(47)39-20(4)28(45)41-25(33(50)51)15-11-16-38-34(36)37)40-32(49)27(21(5)44)43-31(48)26(17-19(2)3)42-29(46)23(35)18-22-12-9-8-10-13-22/h8-10,12-13,19-21,23-27,44H,6-7,11,14-18,35H2,1-5H3,(H,39,47)(H,40,49)(H,41,45)(H,42,46)(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 2.63E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322631
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](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C38H55N9O7/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/h4-9,12-15,23-24,27-31H,10-11,16-22,39H2,1-3H3,(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 5.40E+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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322632
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](CCc1ccccc1)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/C39H57N9O7/c1-24(2)22-31(35(51)44-25(3)33(49)46-30(38(54)55)16-10-20-43-39(41)42)47-36(52)32-17-11-21-48(32)37(53)29(19-18-26-12-6-4-7-13-26)45-34(50)28(40)23-27-14-8-5-9-15-27/h4-9,12-15,24-25,28-32H,10-11,16-23,40H2,1-3H3,(H,44,51)(H,45,50)(H,46,49)(H,47,52)(H,54,55)(H4,41,42,43)/t25-,28-,29-,30-,31-,32-/m0/s1
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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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322636
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-a...)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)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/C35H58N10O7/c1-3-4-14-25(31(48)41-22(2)29(46)44-27(34(51)52)16-10-19-40-35(38)39)42-32(49)28-17-11-20-45(28)33(50)26(15-8-9-18-36)43-30(47)24(37)21-23-12-6-5-7-13-23/h5-7,12-13,22,24-28H,3-4,8-11,14-21,36-37H2,1-2H3,(H,41,48)(H,42,49)(H,43,47)(H,44,46)(H,51,52)(H4,38,39,40)/t22-,24-,25-,26-,27-,28-/m0/s1
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n/an/an/an/a 3.80E+4n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens)
BDBM50322659
PNG
((S)-2-((S)-1-((S)-2-((2S,3R)-2-((S)-2-((S)-2-amino...)
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)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C36H59N9O8/c1-20(2)17-26(42-30(47)24(37)19-23-11-7-6-8-12-23)31(48)44-29(22(5)46)33(50)43-27(18-21(3)4)34(51)45-16-10-14-28(45)32(49)41-25(35(52)53)13-9-15-40-36(38)39/h6-8,11-12,20-22,24-29,46H,9-10,13-19,37H2,1-5H3,(H,41,49)(H,42,47)(H,43,50)(H,44,48)(H,52,53)(H4,38,39,40)/t22-,24+,25+,26+,27+,28+,29+/m1/s1
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n/an/an/an/a 2.88E+4n/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


J Med Chem 53: 4938-48 (2010)


Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%