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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C5a anaphylatoxin chemotactic receptor 1' and Ligand = 'BDBM50266072'   
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))
BDBM50266072
PNG
((+/-)-ethyl 2-(N-(1,4-dioxaspiro[4.5]decan-8-yl)-1...)
Show SMILES CCOC(=O)C(Cc1ccc(Cl)cc1)N(C1CCC2(CC1)OCCO2)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C30H32ClNO5/c1-2-35-29(34)27(20-21-10-12-23(31)13-11-21)32(24-14-16-30(17-15-24)36-18-19-37-30)28(33)26-9-5-7-22-6-3-4-8-25(22)26/h3-13,24,27H,2,14-20H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from C5a receptor in cAMP differentiated human U937 cells by filtration assay


Bioorg Med Chem Lett 18: 5605-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.101
BindingDB Entry DOI: 10.7270/Q2M61K31
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))
BDBM50266072
PNG
((+/-)-ethyl 2-(N-(1,4-dioxaspiro[4.5]decan-8-yl)-1...)
Show SMILES CCOC(=O)C(Cc1ccc(Cl)cc1)N(C1CCC2(CC1)OCCO2)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C30H32ClNO5/c1-2-35-29(34)27(20-21-10-12-23(31)13-11-21)32(24-14-16-30(17-15-24)36-18-19-37-30)28(33)26-9-5-7-22-6-3-4-8-25(22)26/h3-13,24,27H,2,14-20H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at C5a receptor assessed as inhibition of C5a-induced elastase release in human neutrophils during degranulation preincubated 5 m...


Bioorg Med Chem Lett 18: 5605-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.101
BindingDB Entry DOI: 10.7270/Q2M61K31
More data for this
Ligand-Target Pair