Found 4 hits Enz. Inhib. hit(s) with Target = 'C3a anaphylatoxin chemotactic receptor' and Ligand = 'BDBM50388995' 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)) | BDBM50388995
(CHEMBL2064019)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:110.126,87.94,65.74,40.47,29.31,12.16,4.4,133.138,wD:96.110,76.85,51.63,35.35,20.25,128.134,(43.19,-33.09,;43.2,-34.64,;44.54,-35.39,;41.87,-35.41,;41.88,-36.95,;40.55,-37.72,;39.21,-36.96,;39.2,-35.43,;37.89,-37.74,;36.55,-36.97,;35.21,-37.75,;35.22,-39.29,;33.88,-36.99,;33.87,-35.45,;35.2,-34.67,;35.19,-33.14,;36.54,-35.43,;32.55,-37.77,;31.21,-37,;31.2,-35.46,;29.88,-37.78,;29.89,-39.32,;31.22,-40.08,;31.23,-41.62,;32.57,-42.39,;32.58,-43.93,;28.54,-37.02,;27.21,-37.79,;27.22,-39.33,;25.87,-37.03,;25.87,-35.49,;27.19,-34.71,;24.54,-37.81,;23.2,-37.04,;23.2,-35.51,;21.88,-37.82,;21.88,-39.36,;20.54,-37.06,;19.21,-37.84,;19.22,-39.38,;17.87,-37.08,;17.86,-35.54,;19.19,-34.75,;19.18,-33.22,;20.51,-32.44,;20.5,-30.9,;19.16,-30.14,;21.83,-30.13,;16.55,-37.85,;15.21,-37.09,;15.2,-35.55,;13.87,-37.87,;13.88,-39.41,;15.22,-40.17,;16.62,-39.54,;17.66,-40.67,;16.9,-42.01,;17.38,-43.47,;16.36,-44.63,;14.85,-44.31,;14.36,-42.85,;15.39,-41.7,;12.54,-37.1,;11.21,-37.88,;11.22,-39.42,;9.87,-37.12,;9.86,-35.58,;11.19,-34.8,;11.18,-33.26,;12.51,-32.48,;12.5,-30.94,;11.16,-30.18,;13.84,-30.16,;8.54,-37.89,;7.2,-37.13,;7.19,-35.59,;5.87,-37.91,;5.88,-39.45,;7.22,-40.21,;7.23,-41.75,;8.56,-42.52,;8.57,-44.06,;7.24,-44.83,;9.91,-44.82,;4.53,-37.15,;3.2,-37.92,;3.21,-39.46,;1.86,-37.16,;1.85,-35.62,;3.19,-34.84,;3.18,-33.31,;1.84,-32.54,;4.51,-32.52,;.54,-37.94,;-.8,-37.17,;-.81,-35.63,;-2.13,-37.96,;-2.12,-39.5,;-.78,-40.25,;.62,-39.62,;1.65,-40.76,;.89,-42.1,;1.37,-43.56,;.35,-44.71,;-1.15,-44.4,;-1.64,-42.94,;-.62,-41.79,;-3.46,-37.19,;-4.79,-37.97,;-4.79,-39.51,;-6.14,-37.2,;-6.15,-35.67,;-4.82,-34.88,;-3.41,-35.5,;-2.38,-34.36,;-3.16,-33.02,;-2.69,-31.55,;-3.73,-30.42,;-5.23,-30.75,;-5.7,-32.21,;-4.67,-33.35,;-7.47,-37.98,;-8.8,-37.22,;-10.12,-37.99,;-8.8,-35.68,;43.22,-37.71,;43.22,-39.24,;44.55,-36.94,;45.89,-37.7,;45.89,-39.24,;47.21,-36.92,;47.2,-35.38,;48.55,-37.68,;49.88,-36.91,;49.88,-35.36,;51.2,-34.59,;51.19,-33.05,;52.52,-32.26,;52.51,-30.74,;51.18,-29.97,;53.85,-29.95,;51.22,-37.67,;52.55,-36.89,;51.23,-39.21,)| Show InChI InChI=1S/C93H141N31O20/c1-48(2)38-68(78(132)110-46-74(127)114-69(39-49(3)4)84(138)112-50(5)76(130)120-67(89(143)144)30-19-37-106-93(101)102)121-81(135)62(26-14-15-33-94)118-88(142)73(47-125)124-77(131)51(6)111-79(133)63(27-16-34-103-90(95)96)117-86(140)71(41-54-44-108-60-24-12-9-21-57(54)60)122-82(136)65(29-18-36-105-92(99)100)115-80(134)64(28-17-35-104-91(97)98)116-83(137)66(31-32-75(128)129)119-87(141)72(42-55-45-109-61-25-13-10-22-58(55)61)123-85(139)70(113-52(7)126)40-53-43-107-59-23-11-8-20-56(53)59/h8-13,20-25,43-45,48-51,62-73,107-109,125H,14-19,26-42,46-47,94H2,1-7H3,(H,110,132)(H,111,133)(H,112,138)(H,113,126)(H,114,127)(H,115,134)(H,116,137)(H,117,140)(H,118,142)(H,119,141)(H,120,130)(H,121,135)(H,122,136)(H,123,139)(H,124,131)(H,128,129)(H,143,144)(H4,95,96,103)(H4,97,98,104)(H4,99,100,105)(H4,101,102,106)/t50-,51-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26.3 | 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)) | BDBM50388995
(CHEMBL2064019)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:110.126,87.94,65.74,40.47,29.31,12.16,4.4,133.138,wD:96.110,76.85,51.63,35.35,20.25,128.134,(43.19,-33.09,;43.2,-34.64,;44.54,-35.39,;41.87,-35.41,;41.88,-36.95,;40.55,-37.72,;39.21,-36.96,;39.2,-35.43,;37.89,-37.74,;36.55,-36.97,;35.21,-37.75,;35.22,-39.29,;33.88,-36.99,;33.87,-35.45,;35.2,-34.67,;35.19,-33.14,;36.54,-35.43,;32.55,-37.77,;31.21,-37,;31.2,-35.46,;29.88,-37.78,;29.89,-39.32,;31.22,-40.08,;31.23,-41.62,;32.57,-42.39,;32.58,-43.93,;28.54,-37.02,;27.21,-37.79,;27.22,-39.33,;25.87,-37.03,;25.87,-35.49,;27.19,-34.71,;24.54,-37.81,;23.2,-37.04,;23.2,-35.51,;21.88,-37.82,;21.88,-39.36,;20.54,-37.06,;19.21,-37.84,;19.22,-39.38,;17.87,-37.08,;17.86,-35.54,;19.19,-34.75,;19.18,-33.22,;20.51,-32.44,;20.5,-30.9,;19.16,-30.14,;21.83,-30.13,;16.55,-37.85,;15.21,-37.09,;15.2,-35.55,;13.87,-37.87,;13.88,-39.41,;15.22,-40.17,;16.62,-39.54,;17.66,-40.67,;16.9,-42.01,;17.38,-43.47,;16.36,-44.63,;14.85,-44.31,;14.36,-42.85,;15.39,-41.7,;12.54,-37.1,;11.21,-37.88,;11.22,-39.42,;9.87,-37.12,;9.86,-35.58,;11.19,-34.8,;11.18,-33.26,;12.51,-32.48,;12.5,-30.94,;11.16,-30.18,;13.84,-30.16,;8.54,-37.89,;7.2,-37.13,;7.19,-35.59,;5.87,-37.91,;5.88,-39.45,;7.22,-40.21,;7.23,-41.75,;8.56,-42.52,;8.57,-44.06,;7.24,-44.83,;9.91,-44.82,;4.53,-37.15,;3.2,-37.92,;3.21,-39.46,;1.86,-37.16,;1.85,-35.62,;3.19,-34.84,;3.18,-33.31,;1.84,-32.54,;4.51,-32.52,;.54,-37.94,;-.8,-37.17,;-.81,-35.63,;-2.13,-37.96,;-2.12,-39.5,;-.78,-40.25,;.62,-39.62,;1.65,-40.76,;.89,-42.1,;1.37,-43.56,;.35,-44.71,;-1.15,-44.4,;-1.64,-42.94,;-.62,-41.79,;-3.46,-37.19,;-4.79,-37.97,;-4.79,-39.51,;-6.14,-37.2,;-6.15,-35.67,;-4.82,-34.88,;-3.41,-35.5,;-2.38,-34.36,;-3.16,-33.02,;-2.69,-31.55,;-3.73,-30.42,;-5.23,-30.75,;-5.7,-32.21,;-4.67,-33.35,;-7.47,-37.98,;-8.8,-37.22,;-10.12,-37.99,;-8.8,-35.68,;43.22,-37.71,;43.22,-39.24,;44.55,-36.94,;45.89,-37.7,;45.89,-39.24,;47.21,-36.92,;47.2,-35.38,;48.55,-37.68,;49.88,-36.91,;49.88,-35.36,;51.2,-34.59,;51.19,-33.05,;52.52,-32.26,;52.51,-30.74,;51.18,-29.97,;53.85,-29.95,;51.22,-37.67,;52.55,-36.89,;51.23,-39.21,)| Show InChI InChI=1S/C93H141N31O20/c1-48(2)38-68(78(132)110-46-74(127)114-69(39-49(3)4)84(138)112-50(5)76(130)120-67(89(143)144)30-19-37-106-93(101)102)121-81(135)62(26-14-15-33-94)118-88(142)73(47-125)124-77(131)51(6)111-79(133)63(27-16-34-103-90(95)96)117-86(140)71(41-54-44-108-60-24-12-9-21-57(54)60)122-82(136)65(29-18-36-105-92(99)100)115-80(134)64(28-17-35-104-91(97)98)116-83(137)66(31-32-75(128)129)119-87(141)72(42-55-45-109-61-25-13-10-22-58(55)61)123-85(139)70(113-52(7)126)40-53-43-107-59-23-11-8-20-56(53)59/h8-13,20-25,43-45,48-51,62-73,107-109,125H,14-19,26-42,46-47,94H2,1-7H3,(H,110,132)(H,111,133)(H,112,138)(H,113,126)(H,114,127)(H,115,134)(H,116,137)(H,117,140)(H,118,142)(H,119,141)(H,120,130)(H,121,135)(H,122,136)(H,123,139)(H,124,131)(H,128,129)(H,143,144)(H4,95,96,103)(H4,97,98,104)(H4,99,100,105)(H4,101,102,106)/t50-,51-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.12E+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)) | BDBM50388995
(CHEMBL2064019)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:110.126,87.94,65.74,40.47,29.31,12.16,4.4,133.138,wD:96.110,76.85,51.63,35.35,20.25,128.134,(43.19,-33.09,;43.2,-34.64,;44.54,-35.39,;41.87,-35.41,;41.88,-36.95,;40.55,-37.72,;39.21,-36.96,;39.2,-35.43,;37.89,-37.74,;36.55,-36.97,;35.21,-37.75,;35.22,-39.29,;33.88,-36.99,;33.87,-35.45,;35.2,-34.67,;35.19,-33.14,;36.54,-35.43,;32.55,-37.77,;31.21,-37,;31.2,-35.46,;29.88,-37.78,;29.89,-39.32,;31.22,-40.08,;31.23,-41.62,;32.57,-42.39,;32.58,-43.93,;28.54,-37.02,;27.21,-37.79,;27.22,-39.33,;25.87,-37.03,;25.87,-35.49,;27.19,-34.71,;24.54,-37.81,;23.2,-37.04,;23.2,-35.51,;21.88,-37.82,;21.88,-39.36,;20.54,-37.06,;19.21,-37.84,;19.22,-39.38,;17.87,-37.08,;17.86,-35.54,;19.19,-34.75,;19.18,-33.22,;20.51,-32.44,;20.5,-30.9,;19.16,-30.14,;21.83,-30.13,;16.55,-37.85,;15.21,-37.09,;15.2,-35.55,;13.87,-37.87,;13.88,-39.41,;15.22,-40.17,;16.62,-39.54,;17.66,-40.67,;16.9,-42.01,;17.38,-43.47,;16.36,-44.63,;14.85,-44.31,;14.36,-42.85,;15.39,-41.7,;12.54,-37.1,;11.21,-37.88,;11.22,-39.42,;9.87,-37.12,;9.86,-35.58,;11.19,-34.8,;11.18,-33.26,;12.51,-32.48,;12.5,-30.94,;11.16,-30.18,;13.84,-30.16,;8.54,-37.89,;7.2,-37.13,;7.19,-35.59,;5.87,-37.91,;5.88,-39.45,;7.22,-40.21,;7.23,-41.75,;8.56,-42.52,;8.57,-44.06,;7.24,-44.83,;9.91,-44.82,;4.53,-37.15,;3.2,-37.92,;3.21,-39.46,;1.86,-37.16,;1.85,-35.62,;3.19,-34.84,;3.18,-33.31,;1.84,-32.54,;4.51,-32.52,;.54,-37.94,;-.8,-37.17,;-.81,-35.63,;-2.13,-37.96,;-2.12,-39.5,;-.78,-40.25,;.62,-39.62,;1.65,-40.76,;.89,-42.1,;1.37,-43.56,;.35,-44.71,;-1.15,-44.4,;-1.64,-42.94,;-.62,-41.79,;-3.46,-37.19,;-4.79,-37.97,;-4.79,-39.51,;-6.14,-37.2,;-6.15,-35.67,;-4.82,-34.88,;-3.41,-35.5,;-2.38,-34.36,;-3.16,-33.02,;-2.69,-31.55,;-3.73,-30.42,;-5.23,-30.75,;-5.7,-32.21,;-4.67,-33.35,;-7.47,-37.98,;-8.8,-37.22,;-10.12,-37.99,;-8.8,-35.68,;43.22,-37.71,;43.22,-39.24,;44.55,-36.94,;45.89,-37.7,;45.89,-39.24,;47.21,-36.92,;47.2,-35.38,;48.55,-37.68,;49.88,-36.91,;49.88,-35.36,;51.2,-34.59,;51.19,-33.05,;52.52,-32.26,;52.51,-30.74,;51.18,-29.97,;53.85,-29.95,;51.22,-37.67,;52.55,-36.89,;51.23,-39.21,)| Show InChI InChI=1S/C93H141N31O20/c1-48(2)38-68(78(132)110-46-74(127)114-69(39-49(3)4)84(138)112-50(5)76(130)120-67(89(143)144)30-19-37-106-93(101)102)121-81(135)62(26-14-15-33-94)118-88(142)73(47-125)124-77(131)51(6)111-79(133)63(27-16-34-103-90(95)96)117-86(140)71(41-54-44-108-60-24-12-9-21-57(54)60)122-82(136)65(29-18-36-105-92(99)100)115-80(134)64(28-17-35-104-91(97)98)116-83(137)66(31-32-75(128)129)119-87(141)72(42-55-45-109-61-25-13-10-22-58(55)61)123-85(139)70(113-52(7)126)40-53-43-107-59-23-11-8-20-56(53)59/h8-13,20-25,43-45,48-51,62-73,107-109,125H,14-19,26-42,46-47,94H2,1-7H3,(H,110,132)(H,111,133)(H,112,138)(H,113,126)(H,114,127)(H,115,134)(H,116,137)(H,117,140)(H,118,142)(H,119,141)(H,120,130)(H,121,135)(H,122,136)(H,123,139)(H,124,131)(H,128,129)(H,143,144)(H4,95,96,103)(H4,97,98,104)(H4,99,100,105)(H4,101,102,106)/t50-,51-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1 | 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 | 35.5 | 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)) | BDBM50388995
(CHEMBL2064019)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:110.126,87.94,65.74,40.47,29.31,12.16,4.4,133.138,wD:96.110,76.85,51.63,35.35,20.25,128.134,(43.19,-33.09,;43.2,-34.64,;44.54,-35.39,;41.87,-35.41,;41.88,-36.95,;40.55,-37.72,;39.21,-36.96,;39.2,-35.43,;37.89,-37.74,;36.55,-36.97,;35.21,-37.75,;35.22,-39.29,;33.88,-36.99,;33.87,-35.45,;35.2,-34.67,;35.19,-33.14,;36.54,-35.43,;32.55,-37.77,;31.21,-37,;31.2,-35.46,;29.88,-37.78,;29.89,-39.32,;31.22,-40.08,;31.23,-41.62,;32.57,-42.39,;32.58,-43.93,;28.54,-37.02,;27.21,-37.79,;27.22,-39.33,;25.87,-37.03,;25.87,-35.49,;27.19,-34.71,;24.54,-37.81,;23.2,-37.04,;23.2,-35.51,;21.88,-37.82,;21.88,-39.36,;20.54,-37.06,;19.21,-37.84,;19.22,-39.38,;17.87,-37.08,;17.86,-35.54,;19.19,-34.75,;19.18,-33.22,;20.51,-32.44,;20.5,-30.9,;19.16,-30.14,;21.83,-30.13,;16.55,-37.85,;15.21,-37.09,;15.2,-35.55,;13.87,-37.87,;13.88,-39.41,;15.22,-40.17,;16.62,-39.54,;17.66,-40.67,;16.9,-42.01,;17.38,-43.47,;16.36,-44.63,;14.85,-44.31,;14.36,-42.85,;15.39,-41.7,;12.54,-37.1,;11.21,-37.88,;11.22,-39.42,;9.87,-37.12,;9.86,-35.58,;11.19,-34.8,;11.18,-33.26,;12.51,-32.48,;12.5,-30.94,;11.16,-30.18,;13.84,-30.16,;8.54,-37.89,;7.2,-37.13,;7.19,-35.59,;5.87,-37.91,;5.88,-39.45,;7.22,-40.21,;7.23,-41.75,;8.56,-42.52,;8.57,-44.06,;7.24,-44.83,;9.91,-44.82,;4.53,-37.15,;3.2,-37.92,;3.21,-39.46,;1.86,-37.16,;1.85,-35.62,;3.19,-34.84,;3.18,-33.31,;1.84,-32.54,;4.51,-32.52,;.54,-37.94,;-.8,-37.17,;-.81,-35.63,;-2.13,-37.96,;-2.12,-39.5,;-.78,-40.25,;.62,-39.62,;1.65,-40.76,;.89,-42.1,;1.37,-43.56,;.35,-44.71,;-1.15,-44.4,;-1.64,-42.94,;-.62,-41.79,;-3.46,-37.19,;-4.79,-37.97,;-4.79,-39.51,;-6.14,-37.2,;-6.15,-35.67,;-4.82,-34.88,;-3.41,-35.5,;-2.38,-34.36,;-3.16,-33.02,;-2.69,-31.55,;-3.73,-30.42,;-5.23,-30.75,;-5.7,-32.21,;-4.67,-33.35,;-7.47,-37.98,;-8.8,-37.22,;-10.12,-37.99,;-8.8,-35.68,;43.22,-37.71,;43.22,-39.24,;44.55,-36.94,;45.89,-37.7,;45.89,-39.24,;47.21,-36.92,;47.2,-35.38,;48.55,-37.68,;49.88,-36.91,;49.88,-35.36,;51.2,-34.59,;51.19,-33.05,;52.52,-32.26,;52.51,-30.74,;51.18,-29.97,;53.85,-29.95,;51.22,-37.67,;52.55,-36.89,;51.23,-39.21,)| Show InChI InChI=1S/C93H141N31O20/c1-48(2)38-68(78(132)110-46-74(127)114-69(39-49(3)4)84(138)112-50(5)76(130)120-67(89(143)144)30-19-37-106-93(101)102)121-81(135)62(26-14-15-33-94)118-88(142)73(47-125)124-77(131)51(6)111-79(133)63(27-16-34-103-90(95)96)117-86(140)71(41-54-44-108-60-24-12-9-21-57(54)60)122-82(136)65(29-18-36-105-92(99)100)115-80(134)64(28-17-35-104-91(97)98)116-83(137)66(31-32-75(128)129)119-87(141)72(42-55-45-109-61-25-13-10-22-58(55)61)123-85(139)70(113-52(7)126)40-53-43-107-59-23-11-8-20-56(53)59/h8-13,20-25,43-45,48-51,62-73,107-109,125H,14-19,26-42,46-47,94H2,1-7H3,(H,110,132)(H,111,133)(H,112,138)(H,113,126)(H,114,127)(H,115,134)(H,116,137)(H,117,140)(H,118,142)(H,119,141)(H,120,130)(H,121,135)(H,122,136)(H,123,139)(H,124,131)(H,128,129)(H,143,144)(H4,95,96,103)(H4,97,98,104)(H4,99,100,105)(H4,101,102,106)/t50-,51-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1 | PDB
Reactome pathway
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 661 | 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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