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BDBM50559821 CHEMBL4781596

SMILES: COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1

InChI Key: InChIKey=OQDKZJYHCUFKRI-LRDDRELGSA-N

Data: 1 IC50  3 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50559821   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50559821
PNG
(CHEMBL4781596)
Show SMILES COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1
Show InChI InChI=1S/C18H16F3N3O3/c1-27-11-6-13(20)15(14(21)7-11)12-8-22-17(25)16(12)24-18(26)23-10-4-2-9(19)3-5-10/h2-7,12,16H,8H2,1H3,(H,22,25)(H2,23,24,26)/t12-,16-/m0/s1
PDB

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PubMed
n/an/an/an/a 0.140n/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human FPR2 expressed in HEK 293 cells co-expressing Galpha15 measured every 1.5 sec for 80 sec by Fluo-4 NW staining based scanni...


J Med Chem 63: 9003-9019 (2020)

More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50559821
PNG
(CHEMBL4781596)
Show SMILES COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1
Show InChI InChI=1S/C18H16F3N3O3/c1-27-11-6-13(20)15(14(21)7-11)12-8-22-17(25)16(12)24-18(26)23-10-4-2-9(19)3-5-10/h2-7,12,16H,8H2,1H3,(H,22,25)(H2,23,24,26)/t12-,16-/m0/s1
PDB
MMDB

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n/an/a>2.00E+4n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP3A4


J Med Chem 63: 9003-9019 (2020)

More data for this
Ligand-Target Pair
Formyl peptide receptor 2


(Mus musculus)
BDBM50559821
PNG
(CHEMBL4781596)
Show SMILES COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1
Show InChI InChI=1S/C18H16F3N3O3/c1-27-11-6-13(20)15(14(21)7-11)12-8-22-17(25)16(12)24-18(26)23-10-4-2-9(19)3-5-10/h2-7,12,16H,8H2,1H3,(H,22,25)(H2,23,24,26)/t12-,16-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
PubMed
n/an/an/an/a 1.5n/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at mouse FPR2 expressed in HEK 293 cells co-expressing Galpha15 measured every 1.5 sec for 80 sec by Fluo-4 NW staining based scanni...


J Med Chem 63: 9003-9019 (2020)

More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50559821
PNG
(CHEMBL4781596)
Show SMILES COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1
Show InChI InChI=1S/C18H16F3N3O3/c1-27-11-6-13(20)15(14(21)7-11)12-8-22-17(25)16(12)24-18(26)23-10-4-2-9(19)3-5-10/h2-7,12,16H,8H2,1H3,(H,22,25)(H2,23,24,26)/t12-,16-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
PubMed
n/an/an/an/a 280n/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human FPR1 expressed in HEK 293 cells co-expressing Galpha15 measured every 1.5 sec for 80 sec by Fluo-4 NW staining based scanni...


J Med Chem 63: 9003-9019 (2020)

More data for this
Ligand-Target Pair