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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C5a anaphylatoxin chemotactic receptor 1' and Ligand = 'BDBM50305740'   
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
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))
BDBM50305740
PNG
(CHEMBL603858 | N-(2-(indoline-1-carbonyl)phenyl)-N...)
Show SMILES CN(c1ccccc1C(=O)N1CCc2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H22N2O3S/c1-17-11-13-19(14-12-17)29(27,28)24(2)22-10-6-4-8-20(22)23(26)25-16-15-18-7-3-5-9-21(18)25/h3-14H,15-16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.83E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor expressed in CHO cells co-expressed with Galpha16 assessed as inhibition of anaphylatoxin C5a-induced intra...


Bioorg Med Chem Lett 20: 662-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.058
BindingDB Entry DOI: 10.7270/Q2B8586C
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))
BDBM50305740
PNG
(CHEMBL603858 | N-(2-(indoline-1-carbonyl)phenyl)-N...)
Show SMILES CN(c1ccccc1C(=O)N1CCc2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H22N2O3S/c1-17-11-13-19(14-12-17)29(27,28)24(2)22-10-6-4-8-20(22)23(26)25-16-15-18-7-3-5-9-21(18)25/h3-14H,15-16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.45E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]human anaphylatoxin C5a from human C5a receptor expressed in CHO cells co-expressed with Galpha16 after 1 hr


Bioorg Med Chem Lett 20: 662-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.058
BindingDB Entry DOI: 10.7270/Q2B8586C
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))
BDBM50305740
PNG
(CHEMBL603858 | N-(2-(indoline-1-carbonyl)phenyl)-N...)
Show SMILES CN(c1ccccc1C(=O)N1CCc2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H22N2O3S/c1-17-11-13-19(14-12-17)29(27,28)24(2)22-10-6-4-8-20(22)23(26)25-16-15-18-7-3-5-9-21(18)25/h3-14H,15-16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>6.00E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human C5a receptor expressed in CHO cells co-expressed with Galpha16 assessed as effect on anaphylatoxin C5a-induced intracellula...


Bioorg Med Chem Lett 20: 662-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.058
BindingDB Entry DOI: 10.7270/Q2B8586C
More data for this
Ligand-Target Pair