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SMILES: CP(C)(=O)c1ccccc1-c1ccc(N2[C@H](CO)C[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F

InChI Key: InChIKey=OPZVDTKNGXMQLL-MGPUTAFESA-N

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 4 hits for monomerid = 450349   
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
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM450349
PNG
(US10676431, Example 112 | US11117861, Example 112)
Show SMILES CP(C)(=O)c1ccccc1-c1ccc(N2[C@H](CO)C[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F |r|
Show InChI InChI=1S/C26H24ClF3N3O4P/c1-38(2,37)22-6-4-3-5-16(22)17-8-10-21(24(30)23(17)29)33-15(13-34)12-20(25(33)35)32-26(36)31-19-9-7-14(27)11-18(19)28/h3-11,15,20,34H,12-13H2,1-2H3,(H2,31,32,36)/t15-,20+/m0/s1
PDB

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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.270n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
A mixture of forskolin (5 μM final for FPR2 or 10 μM final for FPR1) and IBMX (200 μM final) were added to 384-well Proxiplates (Perki...


US Patent US10676431 (2020)

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


(Homo sapiens (Human))
BDBM450349
PNG
(US10676431, Example 112 | US11117861, Example 112)
Show SMILES CP(C)(=O)c1ccccc1-c1ccc(N2[C@H](CO)C[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F |r|
Show InChI InChI=1S/C26H24ClF3N3O4P/c1-38(2,37)22-6-4-3-5-16(22)17-8-10-21(24(30)23(17)29)33-15(13-34)12-20(25(33)35)32-26(36)31-19-9-7-14(27)11-18(19)28/h3-11,15,20,34H,12-13H2,1-2H3,(H2,31,32,36)/t15-,20+/m0/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem
n/an/an/an/a 390n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM450349
PNG
(US10676431, Example 112 | US11117861, Example 112)
Show SMILES CP(C)(=O)c1ccccc1-c1ccc(N2[C@H](CO)C[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F |r|
Show InChI InChI=1S/C26H24ClF3N3O4P/c1-38(2,37)22-6-4-3-5-16(22)17-8-10-21(24(30)23(17)29)33-15(13-34)12-20(25(33)35)32-26(36)31-19-9-7-14(27)11-18(19)28/h3-11,15,20,34H,12-13H2,1-2H3,(H2,31,32,36)/t15-,20+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 0.270n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM450349
PNG
(US10676431, Example 112 | US11117861, Example 112)
Show SMILES CP(C)(=O)c1ccccc1-c1ccc(N2[C@H](CO)C[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F |r|
Show InChI InChI=1S/C26H24ClF3N3O4P/c1-38(2,37)22-6-4-3-5-16(22)17-8-10-21(24(30)23(17)29)33-15(13-34)12-20(25(33)35)32-26(36)31-19-9-7-14(27)11-18(19)28/h3-11,15,20,34H,12-13H2,1-2H3,(H2,31,32,36)/t15-,20+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 390n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
A mixture of forskolin (5 μM final for FPR2 or 10 μM final for FPR1) and IBMX (200 μM final) were added to 384-well Proxiplates (Perki...


US Patent US10676431 (2020)

More data for this
Ligand-Target Pair