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BDBM50376835 CHEMBL261276

SMILES: CCOc1cc(nc2CCCC(N(CC)c3cccc4ccccc34)c12)-c1c(CC)cccc1CC

InChI Key: InChIKey=BQMYVJFIUYEZOY-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50376835   
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))		BDBM50376835
PNG
(CHEMBL261276)
Show SMILES CCOc1cc(nc2CCCC(N(CC)c3cccc4ccccc34)c12)-c1c(CC)cccc1CC |w:11.11|
Show InChI InChI=1S/C33H38N2O/c1-5-23-15-11-16-24(6-2)32(23)28-22-31(36-8-4)33-27(34-28)19-13-21-30(33)35(7-3)29-20-12-17-25-14-9-10-18-26(25)29/h9-12,14-18,20,22,30H,5-8,13,19,21H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization

Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair