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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 = 'BDBM50322657'   
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))
BDBM50322657
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinoprop...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#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/C33H55N9O8/c1-18(2)14-24(29(46)38-20(5)27(44)39-23(32(49)50)12-9-13-37-33(35)36)41-31(48)26(17-43)42-30(47)25(15-19(3)4)40-28(45)22(34)16-21-10-7-6-8-11-21/h6-8,10-11,18-20,22-26,43H,9,12-17,34H2,1-5H3,(H,38,46)(H,39,44)(H,40,45)(H,41,48)(H,42,47)(H,49,50)(H4,35,36,37)/t20-,22-,23-,24-,25-,26-/m0/s1
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Similars

Article
PubMed
n/an/an/an/a 355n/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))
BDBM50322657
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinoprop...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#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/C33H55N9O8/c1-18(2)14-24(29(46)38-20(5)27(44)39-23(32(49)50)12-9-13-37-33(35)36)41-31(48)26(17-43)42-30(47)25(15-19(3)4)40-28(45)22(34)16-21-10-7-6-8-11-21/h6-8,10-11,18-20,22-26,43H,9,12-17,34H2,1-5H3,(H,38,46)(H,39,44)(H,40,45)(H,41,48)(H,42,47)(H,49,50)(H4,35,36,37)/t20-,22-,23-,24-,25-,26-/m0/s1
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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 355n/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