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BDBM50513122 CHEMBL4442702

SMILES: COc1ccccc1Cc1cc(C)nn(C(C)C(=O)Nc2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=LIAXSWIXVVSOGE-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 = 50513122   
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))
BDBM50513122
PNG
(CHEMBL4442702)
Show SMILES COc1ccccc1Cc1cc(C)nn(C(C)C(=O)Nc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C22H22ClN3O3/c1-14-12-17(13-16-6-4-5-7-20(16)29-3)22(28)26(25-14)15(2)21(27)24-19-10-8-18(23)9-11-19/h4-12,15H,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 1.38E+3n/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
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50513122
PNG
(CHEMBL4442702)
Show SMILES COc1ccccc1Cc1cc(C)nn(C(C)C(=O)Nc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C22H22ClN3O3/c1-14-12-17(13-16-6-4-5-7-20(16)29-3)22(28)26(25-14)15(2)21(27)24-19-10-8-18(23)9-11-19/h4-12,15H,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 1.74E+4n/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