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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'C3a anaphylatoxin chemotactic receptor' and Ligand = 'BDBM50422988'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C3a anaphylatoxin chemotactic receptor


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



The University of Queensland

Curated by ChEMBL


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


J Med Chem 57: 8459-70 (2014)


Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


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



The University of Queensland

Curated by ChEMBL


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


J Med Chem 57: 8459-70 (2014)


Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


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



UCB Global Chemistry

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 3258-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.022
BindingDB Entry DOI: 10.7270/Q2V69KTN
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50422988
PNG
(CHEMBL230034)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccc(o1)-[#6](-c1ccccc1)-c1ccccc1)-[#6](-[#8])=O
Show InChI InChI=1S/C24H26N4O4/c25-24(26)27-15-7-12-18(23(30)31)28-22(29)20-14-13-19(32-20)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,13-14,18,21H,7,12,15H2,(H,28,29)(H,30,31)(H4,25,26,27)/t18-/m0/s1
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n/an/a 1.99E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


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


J Med Chem 57: 8459-70 (2014)


Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50422988
PNG
(CHEMBL230034)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccc(o1)-[#6](-c1ccccc1)-c1ccccc1)-[#6](-[#8])=O
Show InChI InChI=1S/C24H26N4O4/c25-24(26)27-15-7-12-18(23(30)31)28-22(29)20-14-13-19(32-20)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,13-14,18,21H,7,12,15H2,(H,28,29)(H,30,31)(H4,25,26,27)/t18-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


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


J Med Chem 57: 8459-70 (2014)


Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N
More data for this
Ligand-Target Pair