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BDBM50559838 CHEMBL4790836

SMILES: COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(C)c(O)c2)c(F)c1

InChI Key: InChIKey=SMNSHRFMQNHFJB-SJCJKPOMSA-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 = 50559838   
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))
BDBM50559838
PNG
(CHEMBL4790836)
Show SMILES COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(C)c(O)c2)c(F)c1
Show InChI InChI=1S/C19H19F2N3O4/c1-9-3-4-10(5-15(9)25)23-19(27)24-17-12(8-22-18(17)26)16-13(20)6-11(28-2)7-14(16)21/h3-7,12,17,25H,8H2,1-2H3,(H,22,26)(H2,23,24,27)/t12-,17-/m0/s1
PDB

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n/an/an/an/a 0.0780n/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))
BDBM50559838
PNG
(CHEMBL4790836)
Show SMILES COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(C)c(O)c2)c(F)c1
Show InChI InChI=1S/C19H19F2N3O4/c1-9-3-4-10(5-15(9)25)23-19(27)24-17-12(8-22-18(17)26)16-13(20)6-11(28-2)7-14(16)21/h3-7,12,17,25H,8H2,1-2H3,(H,22,26)(H2,23,24,27)/t12-,17-/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)
BDBM50559838
PNG
(CHEMBL4790836)
Show SMILES COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(C)c(O)c2)c(F)c1
Show InChI InChI=1S/C19H19F2N3O4/c1-9-3-4-10(5-15(9)25)23-19(27)24-17-12(8-22-18(17)26)16-13(20)6-11(28-2)7-14(16)21/h3-7,12,17,25H,8H2,1-2H3,(H,22,26)(H2,23,24,27)/t12-,17-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
PubMed
n/an/an/an/a 0.630n/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))
BDBM50559838
PNG
(CHEMBL4790836)
Show SMILES COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(C)c(O)c2)c(F)c1
Show InChI InChI=1S/C19H19F2N3O4/c1-9-3-4-10(5-15(9)25)23-19(27)24-17-12(8-22-18(17)26)16-13(20)6-11(28-2)7-14(16)21/h3-7,12,17,25H,8H2,1-2H3,(H,22,26)(H2,23,24,27)/t12-,17-/m0/s1
PDB

Reactome pathway
KEGG

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antibodypedia
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UniChem
PubMed
n/an/an/an/a 1.00E+3n/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