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BDBM50192055 Ac-Phe-[Orn-Pro-cha-Ala-Arg]::CHEMBL385012

SMILES: C[C@@H]1NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=O)[C@H](CCCNC(N)=N)NC1=O)NC(=O)[C@H](Cc1ccccc1)NC(C)=O

InChI Key: InChIKey=RCANPSOYHAFQSD-IAXXQWKVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50192055   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50192055
PNG
(Ac-Phe-[Orn-Pro-cha-Ala-Arg] | CHEMBL385012)
Show SMILES C[C@@H]1NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=O)[C@H](CCCNC(N)=N)NC1=O)NC(=O)[C@H](Cc1ccccc1)NC(C)=O
Show InChI InChI=1S/C39H60N10O7/c1-24-33(51)46-28(16-9-20-43-39(40)41)34(52)42-19-10-17-29(47-36(54)30(45-25(2)50)22-26-12-5-3-6-13-26)38(56)49-21-11-18-32(49)37(55)48-31(35(53)44-24)23-27-14-7-4-8-15-27/h3,5-6,12-13,24,27-32H,4,7-11,14-23H2,1-2H3,(H,42,52)(H,44,53)(H,45,50)(H,46,51)(H,47,54)(H,48,55)(H4,40,41,43)/t24-,28-,29-,30-,31+,32-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Antagonist activity at human C5aR in CD88 transfected RBL cells assessed as inhibition of C5a-induced glucosaminidase release


Bioorg Med Chem Lett 16: 5088-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.036
BindingDB Entry DOI: 10.7270/Q2RX9BP8
More data for this
Ligand-Target Pair