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SMILES: CN(c1ncccc1-c1ccc(cc1)N1CCC[C@@H](NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O)S(C)(=O)=O

InChI Key: InChIKey=DYKYPVRQTDWJRO-JOCHJYFZSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 454196   
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))
BDBM454196
PNG
(US10717708, Example 145 | US11186544, Example 145)
Show SMILES CN(c1ncccc1-c1ccc(cc1)N1CCC[C@@H](NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O)S(C)(=O)=O |r|
Show InChI InChI=1S/C26H26F3N5O4S/c1-33(39(2,37)38)23-21(5-3-15-30-23)17-7-13-20(14-8-17)34-16-4-6-22(24(34)35)32-25(36)31-19-11-9-18(10-12-19)26(27,28)29/h3,5,7-15,22H,4,6,16H2,1-2H3,(H2,31,32,36)/t22-/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.360n/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))
BDBM454196
PNG
(US10717708, Example 145 | US11186544, Example 145)
Show SMILES CN(c1ncccc1-c1ccc(cc1)N1CCC[C@@H](NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O)S(C)(=O)=O |r|
Show InChI InChI=1S/C26H26F3N5O4S/c1-33(39(2,37)38)23-21(5-3-15-30-23)17-7-13-20(14-8-17)34-16-4-6-22(24(34)35)32-25(36)31-19-11-9-18(10-12-19)26(27,28)29/h3,5,7-15,22H,4,6,16H2,1-2H3,(H2,31,32,36)/t22-/m1/s1
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PC cid
PC sid
UniChem
n/an/an/an/a 15n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM454196
PNG
(US10717708, Example 145 | US11186544, Example 145)
Show SMILES CN(c1ncccc1-c1ccc(cc1)N1CCC[C@@H](NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O)S(C)(=O)=O |r|
Show InChI InChI=1S/C26H26F3N5O4S/c1-33(39(2,37)38)23-21(5-3-15-30-23)17-7-13-20(14-8-17)34-16-4-6-22(24(34)35)32-25(36)31-19-11-9-18(10-12-19)26(27,28)29/h3,5,7-15,22H,4,6,16H2,1-2H3,(H2,31,32,36)/t22-/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 0.360n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM454196
PNG
(US10717708, Example 145 | US11186544, Example 145)
Show SMILES CN(c1ncccc1-c1ccc(cc1)N1CCC[C@@H](NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O)S(C)(=O)=O |r|
Show InChI InChI=1S/C26H26F3N5O4S/c1-33(39(2,37)38)23-21(5-3-15-30-23)17-7-13-20(14-8-17)34-16-4-6-22(24(34)35)32-25(36)31-19-11-9-18(10-12-19)26(27,28)29/h3,5,7-15,22H,4,6,16H2,1-2H3,(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 15n/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