BindingDB logo
myBDB logout

BDBM50513089 CHEMBL4447632

SMILES: COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1OC

InChI Key: InChIKey=LTXIWGKPXJBTIW-UHFFFAOYSA-N

Data: 2 EC50

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 = 50513089   
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
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50513089
PNG
(CHEMBL4447632)
Show SMILES COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1OC
Show InChI InChI=1S/C22H22ClN3O4/c1-14-11-16(12-15-5-4-6-19(29-2)21(15)30-3)22(28)26(25-14)13-20(27)24-18-9-7-17(23)8-10-18/h4-11H,12-13H2,1-3H3,(H,24,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 224n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Biased agonist activity at human FPR1 expressed in FlpIn-CHO cells assessed as intracellular calcium mobilization by Fluo-4-AM dye based fluorescence...


J Med Chem 62: 5242-5248 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01912
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50513089
PNG
(CHEMBL4447632)
Show SMILES COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1OC
Show InChI InChI=1S/C22H22ClN3O4/c1-14-11-16(12-15-5-4-6-19(29-2)21(15)30-3)22(28)26(25-14)13-20(27)24-18-9-7-17(23)8-10-18/h4-11H,12-13H2,1-3H3,(H,24,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 170n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Biased agonist activity at human FPR1 expressed in FlpIn-CHO cells assessed as stimulation of ERK1/2 phosphorylation measured after 7 mins by Alphasc...


J Med Chem 62: 5242-5248 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01912
More data for this
Ligand-Target Pair