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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C3a anaphylatoxin chemotactic receptor' and Ligand = 'BDBM50322644'   
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))
BDBM50322644
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-14-butyl-2-(3-guan...)
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](-[#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/C34H57N9O8/c1-6-7-14-24(40-29(46)23(35)18-22-12-9-8-10-13-22)30(47)43-27(21(5)44)32(49)42-26(17-19(2)3)31(48)39-20(4)28(45)41-25(33(50)51)15-11-16-38-34(36)37/h8-10,12-13,19-21,23-27,44H,6-7,11,14-18,35H2,1-5H3,(H,39,48)(H,40,46)(H,41,45)(H,42,49)(H,43,47)(H,50,51)(H4,36,37,38)/t20-,21+,23-,24-,25-,26-,27-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 310n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor in human U937 cells assessed as inhibition of intracellular calcium mobilization


J Med Chem 53: 4938-48 (2010)


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


(Homo sapiens (Human))
BDBM50322644
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-14-butyl-2-(3-guan...)
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](-[#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/C34H57N9O8/c1-6-7-14-24(40-29(46)23(35)18-22-12-9-8-10-13-22)30(47)43-27(21(5)44)32(49)42-26(17-19(2)3)31(48)39-20(4)28(45)41-25(33(50)51)15-11-16-38-34(36)37/h8-10,12-13,19-21,23-27,44H,6-7,11,14-18,35H2,1-5H3,(H,39,48)(H,40,46)(H,41,45)(H,42,49)(H,43,47)(H,50,51)(H4,36,37,38)/t20-,21+,23-,24-,25-,26-,27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 310n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release


J Med Chem 53: 4938-48 (2010)


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