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SMILES: COc1ccc(NC(=O)Cn2nc(C)cc(Cc3ccccc3OC)c2=O)cc1

InChI Key: InChIKey=NBUAVJSFZXZRLL-UHFFFAOYSA-N

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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 2 hits for monomerid = 50513079   
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))
BDBM50513079
PNG
(CHEMBL4583846)
Show SMILES COc1ccc(NC(=O)Cn2nc(C)cc(Cc3ccccc3OC)c2=O)cc1
Show InChI InChI=1S/C22H23N3O4/c1-15-12-17(13-16-6-4-5-7-20(16)29-3)22(27)25(24-15)14-21(26)23-18-8-10-19(28-2)11-9-18/h4-12H,13-14H2,1-3H3,(H,23,26)
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UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a<1.00E+5n/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))
BDBM50513079
PNG
(CHEMBL4583846)
Show SMILES COc1ccc(NC(=O)Cn2nc(C)cc(Cc3ccccc3OC)c2=O)cc1
Show InChI InChI=1S/C22H23N3O4/c1-15-12-17(13-16-6-4-5-7-20(16)29-3)22(27)25(24-15)14-21(26)23-18-8-10-19(28-2)11-9-18/h4-12H,13-14H2,1-3H3,(H,23,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7.94E+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