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SMILES: CS(=O)(=O)Nc1ccccc1-c1ccc(cc1)N1CCC[C@@H](NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O

InChI Key: InChIKey=HIRCZQRIKKQTKV-HSZRJFAPSA-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 = 454187   
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))
BDBM454187
PNG
(US10717708, Example 66 | US11186544, Example 66)
Show SMILES CS(=O)(=O)Nc1ccccc1-c1ccc(cc1)N1CCC[C@@H](NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C26H25F3N4O4S/c1-38(36,37)32-22-6-3-2-5-21(22)17-8-14-20(15-9-17)33-16-4-7-23(24(33)34)31-25(35)30-19-12-10-18(11-13-19)26(27,28)29/h2-3,5-6,8-15,23,32H,4,7,16H2,1H3,(H2,30,31,35)/t23-/m1/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 0.320n/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))
BDBM454187
PNG
(US10717708, Example 66 | US11186544, Example 66)
Show SMILES CS(=O)(=O)Nc1ccccc1-c1ccc(cc1)N1CCC[C@@H](NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C26H25F3N4O4S/c1-38(36,37)32-22-6-3-2-5-21(22)17-8-14-20(15-9-17)33-16-4-7-23(24(33)34)31-25(35)30-19-12-10-18(11-13-19)26(27,28)29/h2-3,5-6,8-15,23,32H,4,7,16H2,1H3,(H2,30,31,35)/t23-/m1/s1
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PC cid
PC sid
UniChem
n/an/an/an/a 100n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM454187
PNG
(US10717708, Example 66 | US11186544, Example 66)
Show SMILES CS(=O)(=O)Nc1ccccc1-c1ccc(cc1)N1CCC[C@@H](NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C26H25F3N4O4S/c1-38(36,37)32-22-6-3-2-5-21(22)17-8-14-20(15-9-17)33-16-4-7-23(24(33)34)31-25(35)30-19-12-10-18(11-13-19)26(27,28)29/h2-3,5-6,8-15,23,32H,4,7,16H2,1H3,(H2,30,31,35)/t23-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/an/an/a 0.320n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM454187
PNG
(US10717708, Example 66 | US11186544, Example 66)
Show SMILES CS(=O)(=O)Nc1ccccc1-c1ccc(cc1)N1CCC[C@@H](NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C26H25F3N4O4S/c1-38(36,37)32-22-6-3-2-5-21(22)17-8-14-20(15-9-17)33-16-4-7-23(24(33)34)31-25(35)30-19-12-10-18(11-13-19)26(27,28)29/h2-3,5-6,8-15,23,32H,4,7,16H2,1H3,(H2,30,31,35)/t23-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 100n/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