Found 4 hits Enz. Inhib. hit(s) with Target = 'C3a anaphylatoxin chemotactic receptor' and Ligand = 'BDBM50389003' 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)) | BDBM50389003
(CHEMBL2064018)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:109.125,87.93,65.74,40.47,29.31,12.16,4.4,132.137,wD:95.109,76.85,51.63,35.35,20.25,127.133,(46.4,-15.18,;46.39,-16.72,;47.73,-17.49,;45.05,-17.49,;45.05,-19.03,;43.72,-19.8,;42.38,-19.02,;42.39,-17.48,;41.05,-19.8,;39.72,-19.02,;38.38,-19.78,;38.38,-21.32,;37.05,-19.01,;37.05,-17.48,;38.39,-16.7,;38.39,-15.16,;39.72,-17.48,;35.71,-19.78,;34.38,-19.01,;34.38,-17.47,;33.04,-19.77,;33.04,-21.31,;34.37,-22.09,;34.37,-23.63,;35.7,-24.4,;35.7,-25.94,;31.71,-19,;30.38,-19.77,;30.37,-21.31,;29.04,-18.99,;29.05,-17.46,;30.38,-16.69,;27.7,-19.77,;26.37,-18.99,;26.38,-17.45,;25.04,-19.76,;25.03,-21.3,;23.71,-18.99,;22.37,-19.75,;22.37,-21.29,;21.04,-18.98,;21.04,-17.44,;22.38,-16.67,;22.38,-15.13,;23.71,-14.37,;23.72,-12.82,;22.38,-12.05,;25.06,-12.05,;19.71,-19.75,;18.38,-18.97,;18.38,-17.43,;17.03,-19.74,;17.03,-21.28,;18.36,-22.05,;19.77,-21.43,;20.8,-22.58,;20.03,-23.91,;20.5,-25.38,;19.47,-26.52,;17.96,-26.19,;17.49,-24.73,;18.52,-23.59,;15.7,-18.97,;14.37,-19.73,;14.37,-21.28,;13.04,-18.96,;13.04,-17.43,;14.37,-16.65,;14.38,-15.11,;15.71,-14.35,;15.71,-12.81,;14.38,-12.03,;17.05,-12.04,;11.7,-19.73,;10.36,-18.96,;10.37,-17.41,;9.03,-19.72,;9.03,-21.26,;10.36,-22.04,;10.36,-23.58,;11.69,-24.35,;11.69,-25.89,;10.35,-26.66,;13.02,-26.66,;7.7,-18.95,;6.36,-19.72,;6.36,-21.26,;5.03,-18.94,;5.03,-17.4,;6.37,-16.64,;7.7,-17.42,;6.37,-15.1,;3.7,-19.72,;2.36,-18.94,;2.37,-17.4,;1.04,-19.7,;1.03,-21.24,;2.37,-22.02,;3.77,-21.4,;4.79,-22.55,;4.02,-23.88,;4.49,-25.34,;3.46,-26.48,;1.97,-26.16,;1.47,-24.69,;2.52,-23.56,;-.3,-18.93,;-1.64,-19.7,;-1.64,-21.24,;-2.97,-18.93,;-2.96,-17.38,;-1.64,-16.62,;-.24,-17.25,;.8,-16.1,;.03,-14.77,;.52,-13.3,;-.51,-12.16,;-2.02,-12.48,;-2.5,-13.94,;-1.48,-15.08,;-4.3,-19.7,;-5.63,-18.93,;-6.96,-19.71,;-5.63,-17.4,;46.38,-19.8,;46.38,-21.34,;47.72,-19.04,;49.06,-19.81,;49.05,-21.35,;50.39,-19.04,;50.39,-17.5,;51.72,-19.81,;53.06,-19.05,;53.06,-17.51,;54.4,-16.74,;54.4,-15.2,;55.73,-14.43,;55.74,-12.89,;54.4,-12.12,;57.08,-12.13,;54.39,-19.82,;55.73,-19.05,;54.38,-21.36,)| Show InChI InChI=1S/C92H139N31O20/c1-47(2)36-66(77(131)109-45-73(126)113-67(37-48(3)4)82(136)111-49(5)75(129)118-65(88(142)143)30-19-35-105-92(100)101)119-80(134)61(26-14-15-31-93)117-87(141)72(46-124)123-76(130)50(6)110-78(132)62(27-16-32-102-89(94)95)115-84(138)69(39-53-43-107-59-24-12-9-21-56(53)59)120-81(135)64(29-18-34-104-91(98)99)114-79(133)63(28-17-33-103-90(96)97)116-86(140)71(41-74(127)128)122-85(139)70(40-54-44-108-60-25-13-10-22-57(54)60)121-83(137)68(112-51(7)125)38-52-42-106-58-23-11-8-20-55(52)58/h8-13,20-25,42-44,47-50,61-72,106-108,124H,14-19,26-41,45-46,93H2,1-7H3,(H,109,131)(H,110,132)(H,111,136)(H,112,125)(H,113,126)(H,114,133)(H,115,138)(H,116,140)(H,117,141)(H,118,129)(H,119,134)(H,120,135)(H,121,137)(H,122,139)(H,123,130)(H,127,128)(H,142,143)(H4,94,95,102)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t49-,50-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Princeton University
Curated by ChEMBL
| Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat... |
J Med Chem 55: 4159-68 (2012)
Article DOI: 10.1021/jm201609k
BindingDB Entry DOI: 10.7270/Q24F1RS4 |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50389003
(CHEMBL2064018)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:109.125,87.93,65.74,40.47,29.31,12.16,4.4,132.137,wD:95.109,76.85,51.63,35.35,20.25,127.133,(46.4,-15.18,;46.39,-16.72,;47.73,-17.49,;45.05,-17.49,;45.05,-19.03,;43.72,-19.8,;42.38,-19.02,;42.39,-17.48,;41.05,-19.8,;39.72,-19.02,;38.38,-19.78,;38.38,-21.32,;37.05,-19.01,;37.05,-17.48,;38.39,-16.7,;38.39,-15.16,;39.72,-17.48,;35.71,-19.78,;34.38,-19.01,;34.38,-17.47,;33.04,-19.77,;33.04,-21.31,;34.37,-22.09,;34.37,-23.63,;35.7,-24.4,;35.7,-25.94,;31.71,-19,;30.38,-19.77,;30.37,-21.31,;29.04,-18.99,;29.05,-17.46,;30.38,-16.69,;27.7,-19.77,;26.37,-18.99,;26.38,-17.45,;25.04,-19.76,;25.03,-21.3,;23.71,-18.99,;22.37,-19.75,;22.37,-21.29,;21.04,-18.98,;21.04,-17.44,;22.38,-16.67,;22.38,-15.13,;23.71,-14.37,;23.72,-12.82,;22.38,-12.05,;25.06,-12.05,;19.71,-19.75,;18.38,-18.97,;18.38,-17.43,;17.03,-19.74,;17.03,-21.28,;18.36,-22.05,;19.77,-21.43,;20.8,-22.58,;20.03,-23.91,;20.5,-25.38,;19.47,-26.52,;17.96,-26.19,;17.49,-24.73,;18.52,-23.59,;15.7,-18.97,;14.37,-19.73,;14.37,-21.28,;13.04,-18.96,;13.04,-17.43,;14.37,-16.65,;14.38,-15.11,;15.71,-14.35,;15.71,-12.81,;14.38,-12.03,;17.05,-12.04,;11.7,-19.73,;10.36,-18.96,;10.37,-17.41,;9.03,-19.72,;9.03,-21.26,;10.36,-22.04,;10.36,-23.58,;11.69,-24.35,;11.69,-25.89,;10.35,-26.66,;13.02,-26.66,;7.7,-18.95,;6.36,-19.72,;6.36,-21.26,;5.03,-18.94,;5.03,-17.4,;6.37,-16.64,;7.7,-17.42,;6.37,-15.1,;3.7,-19.72,;2.36,-18.94,;2.37,-17.4,;1.04,-19.7,;1.03,-21.24,;2.37,-22.02,;3.77,-21.4,;4.79,-22.55,;4.02,-23.88,;4.49,-25.34,;3.46,-26.48,;1.97,-26.16,;1.47,-24.69,;2.52,-23.56,;-.3,-18.93,;-1.64,-19.7,;-1.64,-21.24,;-2.97,-18.93,;-2.96,-17.38,;-1.64,-16.62,;-.24,-17.25,;.8,-16.1,;.03,-14.77,;.52,-13.3,;-.51,-12.16,;-2.02,-12.48,;-2.5,-13.94,;-1.48,-15.08,;-4.3,-19.7,;-5.63,-18.93,;-6.96,-19.71,;-5.63,-17.4,;46.38,-19.8,;46.38,-21.34,;47.72,-19.04,;49.06,-19.81,;49.05,-21.35,;50.39,-19.04,;50.39,-17.5,;51.72,-19.81,;53.06,-19.05,;53.06,-17.51,;54.4,-16.74,;54.4,-15.2,;55.73,-14.43,;55.74,-12.89,;54.4,-12.12,;57.08,-12.13,;54.39,-19.82,;55.73,-19.05,;54.38,-21.36,)| Show InChI InChI=1S/C92H139N31O20/c1-47(2)36-66(77(131)109-45-73(126)113-67(37-48(3)4)82(136)111-49(5)75(129)118-65(88(142)143)30-19-35-105-92(100)101)119-80(134)61(26-14-15-31-93)117-87(141)72(46-124)123-76(130)50(6)110-78(132)62(27-16-32-102-89(94)95)115-84(138)69(39-53-43-107-59-24-12-9-21-56(53)59)120-81(135)64(29-18-34-104-91(98)99)114-79(133)63(28-17-33-103-90(96)97)116-86(140)71(41-74(127)128)122-85(139)70(40-54-44-108-60-25-13-10-22-57(54)60)121-83(137)68(112-51(7)125)38-52-42-106-58-23-11-8-20-55(52)58/h8-13,20-25,42-44,47-50,61-72,106-108,124H,14-19,26-41,45-46,93H2,1-7H3,(H,109,131)(H,110,132)(H,111,136)(H,112,125)(H,113,126)(H,114,133)(H,115,138)(H,116,140)(H,117,141)(H,118,129)(H,119,134)(H,120,135)(H,121,137)(H,122,139)(H,123,130)(H,127,128)(H,142,143)(H4,94,95,102)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t49-,50-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Princeton University
Curated by ChEMBL
| Assay Description
Antagonist activity at C3a receptor in dbcAMP differentiated human U937 cells assessed as inhibition of increase in intracellular calcium compound pr... |
J Med Chem 55: 4159-68 (2012)
Article DOI: 10.1021/jm201609k
BindingDB Entry DOI: 10.7270/Q24F1RS4 |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50389003
(CHEMBL2064018)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:109.125,87.93,65.74,40.47,29.31,12.16,4.4,132.137,wD:95.109,76.85,51.63,35.35,20.25,127.133,(46.4,-15.18,;46.39,-16.72,;47.73,-17.49,;45.05,-17.49,;45.05,-19.03,;43.72,-19.8,;42.38,-19.02,;42.39,-17.48,;41.05,-19.8,;39.72,-19.02,;38.38,-19.78,;38.38,-21.32,;37.05,-19.01,;37.05,-17.48,;38.39,-16.7,;38.39,-15.16,;39.72,-17.48,;35.71,-19.78,;34.38,-19.01,;34.38,-17.47,;33.04,-19.77,;33.04,-21.31,;34.37,-22.09,;34.37,-23.63,;35.7,-24.4,;35.7,-25.94,;31.71,-19,;30.38,-19.77,;30.37,-21.31,;29.04,-18.99,;29.05,-17.46,;30.38,-16.69,;27.7,-19.77,;26.37,-18.99,;26.38,-17.45,;25.04,-19.76,;25.03,-21.3,;23.71,-18.99,;22.37,-19.75,;22.37,-21.29,;21.04,-18.98,;21.04,-17.44,;22.38,-16.67,;22.38,-15.13,;23.71,-14.37,;23.72,-12.82,;22.38,-12.05,;25.06,-12.05,;19.71,-19.75,;18.38,-18.97,;18.38,-17.43,;17.03,-19.74,;17.03,-21.28,;18.36,-22.05,;19.77,-21.43,;20.8,-22.58,;20.03,-23.91,;20.5,-25.38,;19.47,-26.52,;17.96,-26.19,;17.49,-24.73,;18.52,-23.59,;15.7,-18.97,;14.37,-19.73,;14.37,-21.28,;13.04,-18.96,;13.04,-17.43,;14.37,-16.65,;14.38,-15.11,;15.71,-14.35,;15.71,-12.81,;14.38,-12.03,;17.05,-12.04,;11.7,-19.73,;10.36,-18.96,;10.37,-17.41,;9.03,-19.72,;9.03,-21.26,;10.36,-22.04,;10.36,-23.58,;11.69,-24.35,;11.69,-25.89,;10.35,-26.66,;13.02,-26.66,;7.7,-18.95,;6.36,-19.72,;6.36,-21.26,;5.03,-18.94,;5.03,-17.4,;6.37,-16.64,;7.7,-17.42,;6.37,-15.1,;3.7,-19.72,;2.36,-18.94,;2.37,-17.4,;1.04,-19.7,;1.03,-21.24,;2.37,-22.02,;3.77,-21.4,;4.79,-22.55,;4.02,-23.88,;4.49,-25.34,;3.46,-26.48,;1.97,-26.16,;1.47,-24.69,;2.52,-23.56,;-.3,-18.93,;-1.64,-19.7,;-1.64,-21.24,;-2.97,-18.93,;-2.96,-17.38,;-1.64,-16.62,;-.24,-17.25,;.8,-16.1,;.03,-14.77,;.52,-13.3,;-.51,-12.16,;-2.02,-12.48,;-2.5,-13.94,;-1.48,-15.08,;-4.3,-19.7,;-5.63,-18.93,;-6.96,-19.71,;-5.63,-17.4,;46.38,-19.8,;46.38,-21.34,;47.72,-19.04,;49.06,-19.81,;49.05,-21.35,;50.39,-19.04,;50.39,-17.5,;51.72,-19.81,;53.06,-19.05,;53.06,-17.51,;54.4,-16.74,;54.4,-15.2,;55.73,-14.43,;55.74,-12.89,;54.4,-12.12,;57.08,-12.13,;54.39,-19.82,;55.73,-19.05,;54.38,-21.36,)| Show InChI InChI=1S/C92H139N31O20/c1-47(2)36-66(77(131)109-45-73(126)113-67(37-48(3)4)82(136)111-49(5)75(129)118-65(88(142)143)30-19-35-105-92(100)101)119-80(134)61(26-14-15-31-93)117-87(141)72(46-124)123-76(130)50(6)110-78(132)62(27-16-32-102-89(94)95)115-84(138)69(39-53-43-107-59-24-12-9-21-56(53)59)120-81(135)64(29-18-34-104-91(98)99)114-79(133)63(28-17-33-103-90(96)97)116-86(140)71(41-74(127)128)122-85(139)70(40-54-44-108-60-25-13-10-22-57(54)60)121-83(137)68(112-51(7)125)38-52-42-106-58-23-11-8-20-55(52)58/h8-13,20-25,42-44,47-50,61-72,106-108,124H,14-19,26-41,45-46,93H2,1-7H3,(H,109,131)(H,110,132)(H,111,136)(H,112,125)(H,113,126)(H,114,133)(H,115,138)(H,116,140)(H,117,141)(H,118,129)(H,119,134)(H,120,135)(H,121,137)(H,122,139)(H,123,130)(H,127,128)(H,142,143)(H4,94,95,102)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t49-,50-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1 | 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 | 224 | n/a | n/a | n/a | n/a |
Princeton University
Curated by ChEMBL
| Assay Description
Agonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant by degranulation assay |
J Med Chem 55: 4159-68 (2012)
Article DOI: 10.1021/jm201609k
BindingDB Entry DOI: 10.7270/Q24F1RS4 |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50389003
(CHEMBL2064018)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:109.125,87.93,65.74,40.47,29.31,12.16,4.4,132.137,wD:95.109,76.85,51.63,35.35,20.25,127.133,(46.4,-15.18,;46.39,-16.72,;47.73,-17.49,;45.05,-17.49,;45.05,-19.03,;43.72,-19.8,;42.38,-19.02,;42.39,-17.48,;41.05,-19.8,;39.72,-19.02,;38.38,-19.78,;38.38,-21.32,;37.05,-19.01,;37.05,-17.48,;38.39,-16.7,;38.39,-15.16,;39.72,-17.48,;35.71,-19.78,;34.38,-19.01,;34.38,-17.47,;33.04,-19.77,;33.04,-21.31,;34.37,-22.09,;34.37,-23.63,;35.7,-24.4,;35.7,-25.94,;31.71,-19,;30.38,-19.77,;30.37,-21.31,;29.04,-18.99,;29.05,-17.46,;30.38,-16.69,;27.7,-19.77,;26.37,-18.99,;26.38,-17.45,;25.04,-19.76,;25.03,-21.3,;23.71,-18.99,;22.37,-19.75,;22.37,-21.29,;21.04,-18.98,;21.04,-17.44,;22.38,-16.67,;22.38,-15.13,;23.71,-14.37,;23.72,-12.82,;22.38,-12.05,;25.06,-12.05,;19.71,-19.75,;18.38,-18.97,;18.38,-17.43,;17.03,-19.74,;17.03,-21.28,;18.36,-22.05,;19.77,-21.43,;20.8,-22.58,;20.03,-23.91,;20.5,-25.38,;19.47,-26.52,;17.96,-26.19,;17.49,-24.73,;18.52,-23.59,;15.7,-18.97,;14.37,-19.73,;14.37,-21.28,;13.04,-18.96,;13.04,-17.43,;14.37,-16.65,;14.38,-15.11,;15.71,-14.35,;15.71,-12.81,;14.38,-12.03,;17.05,-12.04,;11.7,-19.73,;10.36,-18.96,;10.37,-17.41,;9.03,-19.72,;9.03,-21.26,;10.36,-22.04,;10.36,-23.58,;11.69,-24.35,;11.69,-25.89,;10.35,-26.66,;13.02,-26.66,;7.7,-18.95,;6.36,-19.72,;6.36,-21.26,;5.03,-18.94,;5.03,-17.4,;6.37,-16.64,;7.7,-17.42,;6.37,-15.1,;3.7,-19.72,;2.36,-18.94,;2.37,-17.4,;1.04,-19.7,;1.03,-21.24,;2.37,-22.02,;3.77,-21.4,;4.79,-22.55,;4.02,-23.88,;4.49,-25.34,;3.46,-26.48,;1.97,-26.16,;1.47,-24.69,;2.52,-23.56,;-.3,-18.93,;-1.64,-19.7,;-1.64,-21.24,;-2.97,-18.93,;-2.96,-17.38,;-1.64,-16.62,;-.24,-17.25,;.8,-16.1,;.03,-14.77,;.52,-13.3,;-.51,-12.16,;-2.02,-12.48,;-2.5,-13.94,;-1.48,-15.08,;-4.3,-19.7,;-5.63,-18.93,;-6.96,-19.71,;-5.63,-17.4,;46.38,-19.8,;46.38,-21.34,;47.72,-19.04,;49.06,-19.81,;49.05,-21.35,;50.39,-19.04,;50.39,-17.5,;51.72,-19.81,;53.06,-19.05,;53.06,-17.51,;54.4,-16.74,;54.4,-15.2,;55.73,-14.43,;55.74,-12.89,;54.4,-12.12,;57.08,-12.13,;54.39,-19.82,;55.73,-19.05,;54.38,-21.36,)| Show InChI InChI=1S/C92H139N31O20/c1-47(2)36-66(77(131)109-45-73(126)113-67(37-48(3)4)82(136)111-49(5)75(129)118-65(88(142)143)30-19-35-105-92(100)101)119-80(134)61(26-14-15-31-93)117-87(141)72(46-124)123-76(130)50(6)110-78(132)62(27-16-32-102-89(94)95)115-84(138)69(39-53-43-107-59-24-12-9-21-56(53)59)120-81(135)64(29-18-34-104-91(98)99)114-79(133)63(28-17-33-103-90(96)97)116-86(140)71(41-74(127)128)122-85(139)70(40-54-44-108-60-25-13-10-22-57(54)60)121-83(137)68(112-51(7)125)38-52-42-106-58-23-11-8-20-55(52)58/h8-13,20-25,42-44,47-50,61-72,106-108,124H,14-19,26-41,45-46,93H2,1-7H3,(H,109,131)(H,110,132)(H,111,136)(H,112,125)(H,113,126)(H,114,133)(H,115,138)(H,116,140)(H,117,141)(H,118,129)(H,119,134)(H,120,135)(H,121,137)(H,122,139)(H,123,130)(H,127,128)(H,142,143)(H4,94,95,102)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t49-,50-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1 | PDB
Reactome pathway
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UniProtKB/SwissProt
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AffyNet
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 2.63E+4 | n/a | n/a | n/a | n/a |
Princeton University
Curated by ChEMBL
| Assay Description
Partial agonist activity at C3a receptor in dbcAMP differentiated human U937 cells assessed as increase in intracellular calcium using Fluo-R stainin... |
J Med Chem 55: 4159-68 (2012)
Article DOI: 10.1021/jm201609k
BindingDB Entry DOI: 10.7270/Q24F1RS4 |
More data for this
Ligand-Target Pair | |
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