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SMILES: OCc1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2=O)c(F)c1F

InChI Key: InChIKey=IENBPQGTFLOJEP-LJQANCHMSA-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 = 450238   
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))
BDBM450238
PNG
(US10676431, Example 3 | US11117861, Example 3)
Show SMILES OCc1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2=O)c(F)c1F |r|
Show InChI InChI=1S/C24H20ClF2N3O3/c25-15-5-7-16(8-6-15)28-24(33)29-19-11-12-30(23(19)32)20-10-9-18(21(26)22(20)27)17-4-2-1-3-14(17)13-31/h1-10,19,31H,11-13H2,(H2,28,29,33)/t19-/m1/s1
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.10n/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))
BDBM450238
PNG
(US10676431, Example 3 | US11117861, Example 3)
Show SMILES OCc1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2=O)c(F)c1F |r|
Show InChI InChI=1S/C24H20ClF2N3O3/c25-15-5-7-16(8-6-15)28-24(33)29-19-11-12-30(23(19)32)20-10-9-18(21(26)22(20)27)17-4-2-1-3-14(17)13-31/h1-10,19,31H,11-13H2,(H2,28,29,33)/t19-/m1/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem
n/an/an/an/a 220n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM450238
PNG
(US10676431, Example 3 | US11117861, Example 3)
Show SMILES OCc1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2=O)c(F)c1F |r|
Show InChI InChI=1S/C24H20ClF2N3O3/c25-15-5-7-16(8-6-15)28-24(33)29-19-11-12-30(23(19)32)20-10-9-18(21(26)22(20)27)17-4-2-1-3-14(17)13-31/h1-10,19,31H,11-13H2,(H2,28,29,33)/t19-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 1.10n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM450238
PNG
(US10676431, Example 3 | US11117861, Example 3)
Show SMILES OCc1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2=O)c(F)c1F |r|
Show InChI InChI=1S/C24H20ClF2N3O3/c25-15-5-7-16(8-6-15)28-24(33)29-19-11-12-30(23(19)32)20-10-9-18(21(26)22(20)27)17-4-2-1-3-14(17)13-31/h1-10,19,31H,11-13H2,(H2,28,29,33)/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

More data for this
Ligand-Target Pair