Found 120 hits with Last Name = 'blakeney' and Initial = 'js' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50322626
((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 |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322621
((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 |r,wU:63.69,40.47,99.102,29.31,12.16,4.4,119.123,wD:35.35,114.119,51.60,85.98,20.25,72.78,(55.75,-7.27,;55.7,-8.81,;57.01,-9.63,;54.34,-9.54,;54.29,-11.08,;52.93,-11.8,;51.62,-10.99,;51.67,-9.45,;50.26,-11.71,;48.96,-10.89,;47.6,-11.62,;47.54,-13.16,;46.29,-10.81,;46.34,-9.26,;47.7,-8.54,;47.75,-7,;49.01,-9.36,;44.93,-11.53,;43.63,-10.7,;43.67,-9.16,;42.27,-11.43,;42.21,-12.98,;43.53,-13.78,;43.47,-15.32,;44.77,-16.13,;44.71,-17.68,;40.96,-10.62,;39.61,-11.36,;39.56,-12.9,;38.31,-10.55,;38.35,-9,;39.71,-8.28,;36.94,-11.25,;35.64,-10.43,;35.7,-8.89,;34.29,-11.17,;34.24,-12.7,;32.98,-10.35,;31.62,-11.08,;31.56,-12.63,;30.31,-10.26,;30.37,-8.73,;31.73,-8.01,;31.77,-6.47,;33.13,-5.74,;33.19,-4.2,;34.55,-3.48,;31.88,-3.39,;28.95,-10.98,;27.65,-10.16,;27.69,-8.62,;26.29,-10.88,;26.23,-12.42,;27.54,-13.23,;28.9,-12.51,;30.21,-13.32,;30.16,-14.87,;31.44,-15.68,;28.8,-15.59,;27.48,-14.77,;24.98,-10.08,;23.62,-10.8,;23.57,-12.34,;22.31,-9.98,;22.36,-8.45,;23.72,-7.73,;23.77,-6.18,;25.13,-5.46,;25.18,-3.93,;20.96,-10.72,;19.65,-9.91,;19.71,-8.36,;18.29,-10.64,;18.24,-12.17,;19.54,-12.99,;19.5,-14.53,;20.8,-15.34,;20.75,-16.87,;16.98,-9.82,;15.63,-10.55,;15.57,-12.09,;14.31,-9.74,;12.95,-10.47,;11.65,-9.65,;11.7,-8.11,;10.29,-10.38,;10.23,-11.91,;11.49,-12.78,;12.95,-12.28,;13.87,-13.51,;12.99,-14.78,;13.35,-16.27,;12.23,-17.33,;10.74,-16.88,;10.39,-15.37,;11.52,-14.33,;8.98,-9.57,;7.62,-10.3,;7.58,-11.85,;6.32,-9.49,;4.94,-10.22,;6.35,-7.95,;7.72,-7.23,;9.11,-7.9,;10.17,-6.78,;9.45,-5.42,;9.98,-3.99,;8.99,-2.8,;7.47,-3.07,;6.95,-4.52,;7.93,-5.71,;55.59,-11.89,;55.54,-13.43,;56.95,-11.17,;58.26,-11.98,;58.21,-13.52,;59.62,-11.25,;59.67,-9.72,;60.93,-12.07,;62.29,-11.35,;62.34,-9.8,;63.7,-9.08,;63.75,-7.54,;65.1,-6.81,;65.15,-5.27,;63.84,-4.46,;66.51,-4.55,;63.59,-12.16,;64.95,-11.44,;63.54,-13.7,)| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322621
((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 |r,wU:63.69,40.47,99.102,29.31,12.16,4.4,119.123,wD:35.35,114.119,51.60,85.98,20.25,72.78,(55.75,-7.27,;55.7,-8.81,;57.01,-9.63,;54.34,-9.54,;54.29,-11.08,;52.93,-11.8,;51.62,-10.99,;51.67,-9.45,;50.26,-11.71,;48.96,-10.89,;47.6,-11.62,;47.54,-13.16,;46.29,-10.81,;46.34,-9.26,;47.7,-8.54,;47.75,-7,;49.01,-9.36,;44.93,-11.53,;43.63,-10.7,;43.67,-9.16,;42.27,-11.43,;42.21,-12.98,;43.53,-13.78,;43.47,-15.32,;44.77,-16.13,;44.71,-17.68,;40.96,-10.62,;39.61,-11.36,;39.56,-12.9,;38.31,-10.55,;38.35,-9,;39.71,-8.28,;36.94,-11.25,;35.64,-10.43,;35.7,-8.89,;34.29,-11.17,;34.24,-12.7,;32.98,-10.35,;31.62,-11.08,;31.56,-12.63,;30.31,-10.26,;30.37,-8.73,;31.73,-8.01,;31.77,-6.47,;33.13,-5.74,;33.19,-4.2,;34.55,-3.48,;31.88,-3.39,;28.95,-10.98,;27.65,-10.16,;27.69,-8.62,;26.29,-10.88,;26.23,-12.42,;27.54,-13.23,;28.9,-12.51,;30.21,-13.32,;30.16,-14.87,;31.44,-15.68,;28.8,-15.59,;27.48,-14.77,;24.98,-10.08,;23.62,-10.8,;23.57,-12.34,;22.31,-9.98,;22.36,-8.45,;23.72,-7.73,;23.77,-6.18,;25.13,-5.46,;25.18,-3.93,;20.96,-10.72,;19.65,-9.91,;19.71,-8.36,;18.29,-10.64,;18.24,-12.17,;19.54,-12.99,;19.5,-14.53,;20.8,-15.34,;20.75,-16.87,;16.98,-9.82,;15.63,-10.55,;15.57,-12.09,;14.31,-9.74,;12.95,-10.47,;11.65,-9.65,;11.7,-8.11,;10.29,-10.38,;10.23,-11.91,;11.49,-12.78,;12.95,-12.28,;13.87,-13.51,;12.99,-14.78,;13.35,-16.27,;12.23,-17.33,;10.74,-16.88,;10.39,-15.37,;11.52,-14.33,;8.98,-9.57,;7.62,-10.3,;7.58,-11.85,;6.32,-9.49,;4.94,-10.22,;6.35,-7.95,;7.72,-7.23,;9.11,-7.9,;10.17,-6.78,;9.45,-5.42,;9.98,-3.99,;8.99,-2.8,;7.47,-3.07,;6.95,-4.52,;7.93,-5.71,;55.59,-11.89,;55.54,-13.43,;56.95,-11.17,;58.26,-11.98,;58.21,-13.52,;59.62,-11.25,;59.67,-9.72,;60.93,-12.07,;62.29,-11.35,;62.34,-9.8,;63.7,-9.08,;63.75,-7.54,;65.1,-6.81,;65.15,-5.27,;63.84,-4.46,;66.51,-4.55,;63.59,-12.16,;64.95,-11.44,;63.54,-13.7,)| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322618
((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7](-[#6])-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM50111445
((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 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM50111445
((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 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322649
((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 |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322649
((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 |r| 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 | PDB
Reactome pathway
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PC sid
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| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322648
((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 |r| 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 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322648
((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 |r| 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 | PDB
Reactome pathway
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PC sid
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PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322650
((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](-c1ccccc1)-c1ccccc1)-[#6](-[#8])=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 | PDB
Reactome pathway
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CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322650
((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](-c1ccccc1)-c1ccccc1)-[#6](-[#8])=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 | PDB
Reactome pathway
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CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322620
((S)-2-((R)-2-((S)-2-((S)-1-((S)-2-((S)-1-((S)-6-am...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| 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 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322620
((S)-2-((R)-2-((S)-2-((S)-1-((S)-2-((S)-1-((S)-6-am...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| 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 | PDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322652
((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 |r| 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 | PDB
Reactome pathway
KEGG
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| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322643
((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 |r| 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 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 166 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322643
((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 |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 166 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322653
((2S,5S,8S,11S,14S,17S)-17-amino-8-(cyclohexylmethy...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322653
((2S,5S,8S,11S,14S,17S)-17-amino-8-(cyclohexylmethy...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322653
((2S,5S,8S,11S,14S,17S)-17-amino-8-(cyclohexylmethy...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322638
((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 |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322638
((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 |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322617
((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 |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322633
((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 |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322633
((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 |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM50322617
((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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM50322617
((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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322619
((3S,6S,9S,12S,15S)-15-amino-6-(4-aminobutyl)-9-ben...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322619
((3S,6S,9S,12S,15S)-15-amino-6-(4-aminobutyl)-9-ben...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322650
((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](-c1ccccc1)-c1ccccc1)-[#6](-[#8])=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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322655
((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 |r,wU:79.80,49.49,21.21,8.8,2.2,87.88,63.71,29.36,102.106,115.117,wD:74.75,25.25,108.111,4.4,83.84,54.59,105.109,13.17,40.45,(44.8,-15.37,;44.78,-13.84,;46.11,-13.06,;47.45,-13.81,;46.09,-11.52,;44.75,-10.76,;43.42,-11.54,;43.44,-13.08,;42.09,-10.78,;42.07,-9.24,;40.76,-11.57,;39.42,-10.81,;39.41,-9.27,;38.1,-11.59,;38.12,-13.13,;39.46,-13.89,;40.78,-13.12,;39.47,-15.43,;36.75,-10.84,;35.42,-11.62,;35.44,-13.16,;34.08,-10.86,;32.76,-11.64,;31.42,-10.89,;31.4,-9.35,;30.09,-11.67,;28.75,-10.91,;27.43,-11.69,;27.44,-13.23,;26.09,-10.94,;26.07,-9.39,;27.4,-8.62,;27.38,-7.07,;28.71,-6.3,;28.7,-4.76,;27.35,-4.01,;30.02,-3.98,;24.77,-11.73,;23.43,-10.96,;23.42,-9.42,;22.11,-11.74,;22.12,-13.28,;23.47,-14.03,;23.48,-15.57,;24.82,-16.33,;24.83,-17.88,;20.76,-10.98,;19.44,-11.76,;19.46,-13.3,;18.1,-11.01,;18.09,-9.47,;16.78,-11.8,;15.44,-11.03,;15.42,-9.49,;14.11,-11.81,;14.13,-13.35,;15.47,-14.11,;15.49,-15.65,;14.15,-16.45,;16.83,-16.41,;12.76,-11.07,;11.43,-11.84,;11.44,-13.38,;10.09,-11.09,;10.07,-9.54,;11.39,-8.76,;12.74,-9.52,;14.06,-8.74,;14.04,-7.2,;12.7,-6.44,;11.38,-7.22,;8.77,-11.88,;7.43,-11.11,;7.41,-9.57,;6.11,-11.89,;6.12,-13.42,;4.77,-11.13,;3.44,-11.91,;3.46,-13.45,;2.1,-11.16,;.78,-11.94,;-.57,-11.18,;-.58,-9.64,;-1.89,-11.96,;-3.25,-11.23,;-4.58,-12,;-4.57,-13.54,;-5.92,-11.24,;-7.25,-12.05,;-5.94,-9.7,;-4.61,-8.91,;-3.2,-9.53,;-2.18,-8.38,;-2.96,-7.05,;-2.5,-5.58,;-3.54,-4.44,;-5.05,-4.78,;-5.51,-6.25,;-4.47,-7.38,;-1.87,-13.51,;-.53,-14.27,;-3.2,-14.29,;2.09,-9.62,;.74,-8.86,;3.41,-8.85,;30.11,-13.21,;28.79,-13.99,;31.44,-13.98,;34.07,-9.32,;35.4,-8.54,;32.72,-8.56,;32.71,-7.02,;47.42,-10.74,;47.4,-9.19,;48.76,-11.49,;50.08,-10.71,;50.07,-9.17,;51.39,-8.39,;52.81,-9,;53.83,-7.84,;53.04,-6.52,;53.51,-5.05,;52.46,-3.91,;50.96,-4.25,;50.5,-5.72,;51.54,-6.85,;51.42,-11.46,;52.75,-10.68,;51.44,-13,)| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM50322655
((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 |r,wU:79.80,49.49,21.21,8.8,2.2,87.88,63.71,29.36,102.106,115.117,wD:74.75,25.25,108.111,4.4,83.84,54.59,105.109,13.17,40.45,(44.8,-15.37,;44.78,-13.84,;46.11,-13.06,;47.45,-13.81,;46.09,-11.52,;44.75,-10.76,;43.42,-11.54,;43.44,-13.08,;42.09,-10.78,;42.07,-9.24,;40.76,-11.57,;39.42,-10.81,;39.41,-9.27,;38.1,-11.59,;38.12,-13.13,;39.46,-13.89,;40.78,-13.12,;39.47,-15.43,;36.75,-10.84,;35.42,-11.62,;35.44,-13.16,;34.08,-10.86,;32.76,-11.64,;31.42,-10.89,;31.4,-9.35,;30.09,-11.67,;28.75,-10.91,;27.43,-11.69,;27.44,-13.23,;26.09,-10.94,;26.07,-9.39,;27.4,-8.62,;27.38,-7.07,;28.71,-6.3,;28.7,-4.76,;27.35,-4.01,;30.02,-3.98,;24.77,-11.73,;23.43,-10.96,;23.42,-9.42,;22.11,-11.74,;22.12,-13.28,;23.47,-14.03,;23.48,-15.57,;24.82,-16.33,;24.83,-17.88,;20.76,-10.98,;19.44,-11.76,;19.46,-13.3,;18.1,-11.01,;18.09,-9.47,;16.78,-11.8,;15.44,-11.03,;15.42,-9.49,;14.11,-11.81,;14.13,-13.35,;15.47,-14.11,;15.49,-15.65,;14.15,-16.45,;16.83,-16.41,;12.76,-11.07,;11.43,-11.84,;11.44,-13.38,;10.09,-11.09,;10.07,-9.54,;11.39,-8.76,;12.74,-9.52,;14.06,-8.74,;14.04,-7.2,;12.7,-6.44,;11.38,-7.22,;8.77,-11.88,;7.43,-11.11,;7.41,-9.57,;6.11,-11.89,;6.12,-13.42,;4.77,-11.13,;3.44,-11.91,;3.46,-13.45,;2.1,-11.16,;.78,-11.94,;-.57,-11.18,;-.58,-9.64,;-1.89,-11.96,;-3.25,-11.23,;-4.58,-12,;-4.57,-13.54,;-5.92,-11.24,;-7.25,-12.05,;-5.94,-9.7,;-4.61,-8.91,;-3.2,-9.53,;-2.18,-8.38,;-2.96,-7.05,;-2.5,-5.58,;-3.54,-4.44,;-5.05,-4.78,;-5.51,-6.25,;-4.47,-7.38,;-1.87,-13.51,;-.53,-14.27,;-3.2,-14.29,;2.09,-9.62,;.74,-8.86,;3.41,-8.85,;30.11,-13.21,;28.79,-13.99,;31.44,-13.98,;34.07,-9.32,;35.4,-8.54,;32.72,-8.56,;32.71,-7.02,;47.42,-10.74,;47.4,-9.19,;48.76,-11.49,;50.08,-10.71,;50.07,-9.17,;51.39,-8.39,;52.81,-9,;53.83,-7.84,;53.04,-6.52,;53.51,-5.05,;52.46,-3.91,;50.96,-4.25,;50.5,-5.72,;51.54,-6.85,;51.42,-11.46,;52.75,-10.68,;51.44,-13,)| 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 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM50322655
((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 |r,wU:79.80,49.49,21.21,8.8,2.2,87.88,63.71,29.36,102.106,115.117,wD:74.75,25.25,108.111,4.4,83.84,54.59,105.109,13.17,40.45,(44.8,-15.37,;44.78,-13.84,;46.11,-13.06,;47.45,-13.81,;46.09,-11.52,;44.75,-10.76,;43.42,-11.54,;43.44,-13.08,;42.09,-10.78,;42.07,-9.24,;40.76,-11.57,;39.42,-10.81,;39.41,-9.27,;38.1,-11.59,;38.12,-13.13,;39.46,-13.89,;40.78,-13.12,;39.47,-15.43,;36.75,-10.84,;35.42,-11.62,;35.44,-13.16,;34.08,-10.86,;32.76,-11.64,;31.42,-10.89,;31.4,-9.35,;30.09,-11.67,;28.75,-10.91,;27.43,-11.69,;27.44,-13.23,;26.09,-10.94,;26.07,-9.39,;27.4,-8.62,;27.38,-7.07,;28.71,-6.3,;28.7,-4.76,;27.35,-4.01,;30.02,-3.98,;24.77,-11.73,;23.43,-10.96,;23.42,-9.42,;22.11,-11.74,;22.12,-13.28,;23.47,-14.03,;23.48,-15.57,;24.82,-16.33,;24.83,-17.88,;20.76,-10.98,;19.44,-11.76,;19.46,-13.3,;18.1,-11.01,;18.09,-9.47,;16.78,-11.8,;15.44,-11.03,;15.42,-9.49,;14.11,-11.81,;14.13,-13.35,;15.47,-14.11,;15.49,-15.65,;14.15,-16.45,;16.83,-16.41,;12.76,-11.07,;11.43,-11.84,;11.44,-13.38,;10.09,-11.09,;10.07,-9.54,;11.39,-8.76,;12.74,-9.52,;14.06,-8.74,;14.04,-7.2,;12.7,-6.44,;11.38,-7.22,;8.77,-11.88,;7.43,-11.11,;7.41,-9.57,;6.11,-11.89,;6.12,-13.42,;4.77,-11.13,;3.44,-11.91,;3.46,-13.45,;2.1,-11.16,;.78,-11.94,;-.57,-11.18,;-.58,-9.64,;-1.89,-11.96,;-3.25,-11.23,;-4.58,-12,;-4.57,-13.54,;-5.92,-11.24,;-7.25,-12.05,;-5.94,-9.7,;-4.61,-8.91,;-3.2,-9.53,;-2.18,-8.38,;-2.96,-7.05,;-2.5,-5.58,;-3.54,-4.44,;-5.05,-4.78,;-5.51,-6.25,;-4.47,-7.38,;-1.87,-13.51,;-.53,-14.27,;-3.2,-14.29,;2.09,-9.62,;.74,-8.86,;3.41,-8.85,;30.11,-13.21,;28.79,-13.99,;31.44,-13.98,;34.07,-9.32,;35.4,-8.54,;32.72,-8.56,;32.71,-7.02,;47.42,-10.74,;47.4,-9.19,;48.76,-11.49,;50.08,-10.71,;50.07,-9.17,;51.39,-8.39,;52.81,-9,;53.83,-7.84,;53.04,-6.52,;53.51,-5.05,;52.46,-3.91,;50.96,-4.25,;50.5,-5.72,;51.54,-6.85,;51.42,-11.46,;52.75,-10.68,;51.44,-13,)| 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 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322655
((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 |r,wU:79.80,49.49,21.21,8.8,2.2,87.88,63.71,29.36,102.106,115.117,wD:74.75,25.25,108.111,4.4,83.84,54.59,105.109,13.17,40.45,(44.8,-15.37,;44.78,-13.84,;46.11,-13.06,;47.45,-13.81,;46.09,-11.52,;44.75,-10.76,;43.42,-11.54,;43.44,-13.08,;42.09,-10.78,;42.07,-9.24,;40.76,-11.57,;39.42,-10.81,;39.41,-9.27,;38.1,-11.59,;38.12,-13.13,;39.46,-13.89,;40.78,-13.12,;39.47,-15.43,;36.75,-10.84,;35.42,-11.62,;35.44,-13.16,;34.08,-10.86,;32.76,-11.64,;31.42,-10.89,;31.4,-9.35,;30.09,-11.67,;28.75,-10.91,;27.43,-11.69,;27.44,-13.23,;26.09,-10.94,;26.07,-9.39,;27.4,-8.62,;27.38,-7.07,;28.71,-6.3,;28.7,-4.76,;27.35,-4.01,;30.02,-3.98,;24.77,-11.73,;23.43,-10.96,;23.42,-9.42,;22.11,-11.74,;22.12,-13.28,;23.47,-14.03,;23.48,-15.57,;24.82,-16.33,;24.83,-17.88,;20.76,-10.98,;19.44,-11.76,;19.46,-13.3,;18.1,-11.01,;18.09,-9.47,;16.78,-11.8,;15.44,-11.03,;15.42,-9.49,;14.11,-11.81,;14.13,-13.35,;15.47,-14.11,;15.49,-15.65,;14.15,-16.45,;16.83,-16.41,;12.76,-11.07,;11.43,-11.84,;11.44,-13.38,;10.09,-11.09,;10.07,-9.54,;11.39,-8.76,;12.74,-9.52,;14.06,-8.74,;14.04,-7.2,;12.7,-6.44,;11.38,-7.22,;8.77,-11.88,;7.43,-11.11,;7.41,-9.57,;6.11,-11.89,;6.12,-13.42,;4.77,-11.13,;3.44,-11.91,;3.46,-13.45,;2.1,-11.16,;.78,-11.94,;-.57,-11.18,;-.58,-9.64,;-1.89,-11.96,;-3.25,-11.23,;-4.58,-12,;-4.57,-13.54,;-5.92,-11.24,;-7.25,-12.05,;-5.94,-9.7,;-4.61,-8.91,;-3.2,-9.53,;-2.18,-8.38,;-2.96,-7.05,;-2.5,-5.58,;-3.54,-4.44,;-5.05,-4.78,;-5.51,-6.25,;-4.47,-7.38,;-1.87,-13.51,;-.53,-14.27,;-3.2,-14.29,;2.09,-9.62,;.74,-8.86,;3.41,-8.85,;30.11,-13.21,;28.79,-13.99,;31.44,-13.98,;34.07,-9.32,;35.4,-8.54,;32.72,-8.56,;32.71,-7.02,;47.42,-10.74,;47.4,-9.19,;48.76,-11.49,;50.08,-10.71,;50.07,-9.17,;51.39,-8.39,;52.81,-9,;53.83,-7.84,;53.04,-6.52,;53.51,-5.05,;52.46,-3.91,;50.96,-4.25,;50.5,-5.72,;51.54,-6.85,;51.42,-11.46,;52.75,-10.68,;51.44,-13,)| 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 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM50322618
((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7](-[#6])-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| 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 | PDB
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PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM50322618
((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7](-[#6])-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| 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 | PDB
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PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM50322620
((S)-2-((R)-2-((S)-2-((S)-1-((S)-2-((S)-1-((S)-6-am...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| 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 | PDB
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| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM50322620
((S)-2-((R)-2-((S)-2-((S)-1-((S)-2-((S)-1-((S)-6-am...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| 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 | PDB
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PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322623
((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 |r| 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 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322623
((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 |r| 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 | PDB
Reactome pathway
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UniProtKB/SwissProt
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PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322651
((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 |r| 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 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322651
((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 |r| 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 | PDB
Reactome pathway
KEGG
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PC sid
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Similars
| Article
PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322654
((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 |r| 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 | PDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322654
((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 |r| 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 | PDB
Reactome pathway
KEGG
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PC sid
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Similars
| Article
PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322616
((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 |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322616
((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 |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM50322619
((3S,6S,9S,12S,15S)-15-amino-6-(4-aminobutyl)-9-ben...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| 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 | PDB
KEGG
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM50322619
((3S,6S,9S,12S,15S)-15-amino-6-(4-aminobutyl)-9-ben...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| 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 | PDB
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/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 (Human)) | BDBM50322661
((S)-2-((S)-2-amino-3-phenylpropanamido)-N-((6S,9S,...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O |r| 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 | PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | n/a | n/a | 3.63E+4 | n/a | n/a | n/a | n/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 (Human)) | BDBM50322634
((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino-3-p...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1cccc2ccccc12)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 720 | n/a | n/a | n/a | n/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 | |
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