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BDBM50418334 CHEMBL1770298

SMILES: Cc1ccc(s1)C(NC(=O)c1ccccc1O)C(=O)Nc1c(C)cccc1C

InChI Key: InChIKey=AHTURLVFIJHCLS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50418334   
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 1/2


(Homo sapiens (Human))
BDBM50418334
PNG
(CHEMBL1770298)
Show SMILES Cc1ccc(s1)C(NC(=O)c1ccccc1O)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C22H22N2O3S/c1-13-7-6-8-14(2)19(13)23-22(27)20(18-12-11-15(3)28-18)24-21(26)16-9-4-5-10-17(16)25/h4-12,20,25H,1-3H3,(H,23,27)(H,24,26)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 398n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 21: 6456-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50418334
PNG
(CHEMBL1770298)
Show SMILES Cc1ccc(s1)C(NC(=O)c1ccccc1O)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C22H22N2O3S/c1-13-7-6-8-14(2)19(13)23-22(27)20(18-12-11-15(3)28-18)24-21(26)16-9-4-5-10-17(16)25/h4-12,20,25H,1-3H3,(H,23,27)(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 398n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human FPR1 in expressed in HEK293 cells assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation after 5 m...


Bioorg Med Chem Lett 21: 2991-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.049
BindingDB Entry DOI: 10.7270/Q2PZ5B2D
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Mus musculus)
BDBM50418334
PNG
(CHEMBL1770298)
Show SMILES Cc1ccc(s1)C(NC(=O)c1ccccc1O)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C22H22N2O3S/c1-13-7-6-8-14(2)19(13)23-22(27)20(18-12-11-15(3)28-18)24-21(26)16-9-4-5-10-17(16)25/h4-12,20,25H,1-3H3,(H,23,27)(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.51E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at mouse FPR1 expressed in HEK293 cells assessed as inhibition of fMLFF-stimulated intracellular calcium mobilisation by FLIPR as...


Bioorg Med Chem Lett 21: 2991-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.049
BindingDB Entry DOI: 10.7270/Q2PZ5B2D
More data for this
Ligand-Target Pair