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BDBM50376797 CHEMBL259639

SMILES: CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1)c1cccc2ccccc12

InChI Key: InChIKey=PRKJAWWJGFDLOL-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50376797   
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))
BDBM50376797
PNG
(CHEMBL259639)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C28H28N2O/c1-3-30(25-17-9-14-20-11-7-8-15-22(20)25)26-18-10-16-23-28(26)27(31-2)19-24(29-23)21-12-5-4-6-13-21/h4-9,11-15,17,19,26H,3,10,16,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.30E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


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
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376797
PNG
(CHEMBL259639)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C28H28N2O/c1-3-30(25-17-9-14-20-11-7-8-15-22(20)25)26-18-10-16-23-28(26)27(31-2)19-24(29-23)21-12-5-4-6-13-21/h4-9,11-15,17,19,26H,3,10,16,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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