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BDBM50192037 Ac-Phe-[Orn-Pro-cha-Trp-Leu]::CHEMBL413916

SMILES: CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(C)=O

InChI Key: InChIKey=OUDFZDKHZGNBTM-ZQPNNPFBSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50192037   
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))
BDBM50192037
PNG
(Ac-Phe-[Orn-Pro-cha-Trp-Leu] | CHEMBL413916)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(C)=O
Show InChI InChI=1S/C47H64N8O7/c1-29(2)24-37-42(57)48-22-12-20-36(51-43(58)38(50-30(3)56)25-31-14-6-4-7-15-31)47(62)55-23-13-21-41(55)46(61)54-39(26-32-16-8-5-9-17-32)44(59)53-40(45(60)52-37)27-33-28-49-35-19-11-10-18-34(33)35/h4,6-7,10-11,14-15,18-19,28-29,32,36-41,49H,5,8-9,12-13,16-17,20-27H2,1-3H3,(H,48,57)(H,50,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)/t36-,37-,38-,39+,40-,41-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 54n/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