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SMILES: NC(=O)c1ccccc1-c1ccc(cc1)N1CCC[C@@H](NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O

InChI Key: InChIKey=PURUWPLYNJDKEY-JOCHJYFZSA-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 = 454195   
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))
BDBM454195
PNG
(US10717708, Example 139 | US11186544, Example 139)
Show SMILES NC(=O)c1ccccc1-c1ccc(cc1)N1CCC[C@@H](NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C26H23F3N4O3/c27-26(28,29)17-9-11-18(12-10-17)31-25(36)32-22-6-3-15-33(24(22)35)19-13-7-16(8-14-19)20-4-1-2-5-21(20)23(30)34/h1-2,4-5,7-14,22H,3,6,15H2,(H2,30,34)(H2,31,32,36)/t22-/m1/s1
PDB

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US Patent
n/an/an/an/a 10n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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 (...


US Patent US10717708 (2020)

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


(Homo sapiens (Human))
BDBM454195
PNG
(US10717708, Example 139 | US11186544, Example 139)
Show SMILES NC(=O)c1ccccc1-c1ccc(cc1)N1CCC[C@@H](NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C26H23F3N4O3/c27-26(28,29)17-9-11-18(12-10-17)31-25(36)32-22-6-3-15-33(24(22)35)19-13-7-16(8-14-19)20-4-1-2-5-21(20)23(30)34/h1-2,4-5,7-14,22H,3,6,15H2,(H2,30,34)(H2,31,32,36)/t22-/m1/s1
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PC sid
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n/an/an/an/a 150n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM454195
PNG
(US10717708, Example 139 | US11186544, Example 139)
Show SMILES NC(=O)c1ccccc1-c1ccc(cc1)N1CCC[C@@H](NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C26H23F3N4O3/c27-26(28,29)17-9-11-18(12-10-17)31-25(36)32-22-6-3-15-33(24(22)35)19-13-7-16(8-14-19)20-4-1-2-5-21(20)23(30)34/h1-2,4-5,7-14,22H,3,6,15H2,(H2,30,34)(H2,31,32,36)/t22-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 10n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM454195
PNG
(US10717708, Example 139 | US11186544, Example 139)
Show SMILES NC(=O)c1ccccc1-c1ccc(cc1)N1CCC[C@@H](NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C26H23F3N4O3/c27-26(28,29)17-9-11-18(12-10-17)31-25(36)32-22-6-3-15-33(24(22)35)19-13-7-16(8-14-19)20-4-1-2-5-21(20)23(30)34/h1-2,4-5,7-14,22H,3,6,15H2,(H2,30,34)(H2,31,32,36)/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 150n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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 (...


US Patent US10717708 (2020)

More data for this
Ligand-Target Pair