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SMILES: COC[C@@H]1C[C@@H](NC(=O)Nc2ccc(Cl)cc2F)C(=O)N1c1ccc(c(F)c1F)-c1ccccc1P(C)(C)=O

InChI Key: InChIKey=IXBXSESPQWWNHZ-HRAATJIYSA-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 = 450267   
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))
BDBM450267
PNG
(US10676431, Example 30 | US11117861, Example 30)
Show SMILES COC[C@@H]1C[C@@H](NC(=O)Nc2ccc(Cl)cc2F)C(=O)N1c1ccc(c(F)c1F)-c1ccccc1P(C)(C)=O |r|
Show InChI InChI=1S/C27H26ClF3N3O4P/c1-38-14-16-13-21(33-27(36)32-20-10-8-15(28)12-19(20)29)26(35)34(16)22-11-9-18(24(30)25(22)31)17-6-4-5-7-23(17)39(2,3)37/h4-12,16,21H,13-14H2,1-3H3,(H2,32,33,36)/t16-,21+/m0/s1
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antibodypedia
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PC cid
PC sid
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US Patent
n/an/an/an/a 0.220n/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)


BindingDB Entry DOI: 10.7270/Q2N58QFS
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM450267
PNG
(US10676431, Example 30 | US11117861, Example 30)
Show SMILES COC[C@@H]1C[C@@H](NC(=O)Nc2ccc(Cl)cc2F)C(=O)N1c1ccc(c(F)c1F)-c1ccccc1P(C)(C)=O |r|
Show InChI InChI=1S/C27H26ClF3N3O4P/c1-38-14-16-13-21(33-27(36)32-20-10-8-15(28)12-19(20)29)26(35)34(16)22-11-9-18(24(30)25(22)31)17-6-4-5-7-23(17)39(2,3)37/h4-12,16,21H,13-14H2,1-3H3,(H2,32,33,36)/t16-,21+/m0/s1
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n/an/an/an/a 83n/an/an/an/a


TBA

Assay Description
FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A mixture of forskolin (5 μM final for FPR2 or 10 μM final for FPR1) and IBMX (...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZK5KV9
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM450267
PNG
(US10676431, Example 30 | US11117861, Example 30)
Show SMILES COC[C@@H]1C[C@@H](NC(=O)Nc2ccc(Cl)cc2F)C(=O)N1c1ccc(c(F)c1F)-c1ccccc1P(C)(C)=O |r|
Show InChI InChI=1S/C27H26ClF3N3O4P/c1-38-14-16-13-21(33-27(36)32-20-10-8-15(28)12-19(20)29)26(35)34(16)22-11-9-18(24(30)25(22)31)17-6-4-5-7-23(17)39(2,3)37/h4-12,16,21H,13-14H2,1-3H3,(H2,32,33,36)/t16-,21+/m0/s1
PDB

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UniProtKB/SwissProt

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PC sid
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US Patent
n/an/an/an/a 0.220n/an/an/an/a


TBA

Assay Description
FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A mixture of forskolin (5 μM final for FPR2 or 10 μM final for FPR1) and IBMX (...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZK5KV9
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM450267
PNG
(US10676431, Example 30 | US11117861, Example 30)
Show SMILES COC[C@@H]1C[C@@H](NC(=O)Nc2ccc(Cl)cc2F)C(=O)N1c1ccc(c(F)c1F)-c1ccccc1P(C)(C)=O |r|
Show InChI InChI=1S/C27H26ClF3N3O4P/c1-38-14-16-13-21(33-27(36)32-20-10-8-15(28)12-19(20)29)26(35)34(16)22-11-9-18(24(30)25(22)31)17-6-4-5-7-23(17)39(2,3)37/h4-12,16,21H,13-14H2,1-3H3,(H2,32,33,36)/t16-,21+/m0/s1
PDB

Reactome pathway
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 83n/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)


BindingDB Entry DOI: 10.7270/Q2N58QFS
More data for this
Ligand-Target Pair