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SMILES: CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)c3ccc(cc3oc2c1)=[N+](CC)CC

InChI Key: InChIKey=DCLWZGHJZQBSLE-KQQNWIRTSA-O

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 1 hit for monomerid = 50238903   
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))
BDBM50238903
PNG
(CHEMBL4077102)
Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(19.68,-19.15,;18.37,-18.39,;17.04,-19.16,;17.04,-20.7,;18.37,-21.47,;15.69,-18.39,;15.68,-16.86,;14.35,-16.1,;13.03,-16.87,;11.69,-16.1,;11.69,-14.05,;10.34,-13.29,;10.34,-11.75,;11.67,-10.96,;13,-11.74,;13,-13.27,;14.33,-14.05,;14.33,-15.6,;15.69,-13.27,;17.04,-14.05,;17.04,-15.6,;18.36,-16.37,;18.36,-17.9,;19.69,-18.67,;21.02,-17.9,;18.38,-13.27,;18.38,-11.7,;19.71,-14.05,;19.72,-15.58,;21.06,-16.34,;22.38,-15.57,;22.39,-14.03,;23.72,-16.34,;25.04,-15.57,;25.04,-14.02,;26.38,-13.24,;26.37,-11.7,;27.7,-10.93,;27.7,-9.4,;26.38,-16.33,;26.39,-17.87,;27.71,-15.56,;29.04,-16.33,;29.05,-17.86,;30.39,-18.62,;31.72,-17.85,;30.39,-20.16,;31.72,-20.93,;33.05,-20.16,;34.38,-20.92,;35.72,-20.15,;37.05,-20.92,;38.37,-20.14,;31.73,-22.46,;30.4,-23.24,;33.06,-23.23,;33.06,-24.77,;31.73,-25.54,;31.74,-27.08,;33.07,-27.84,;30.41,-27.85,;30.41,-29.39,;31.75,-30.16,;31.75,-31.7,;33.09,-32.47,;34.42,-31.7,;35.76,-32.46,;29.08,-30.17,;27.74,-29.4,;29.08,-31.71,;30.42,-32.48,;30.43,-34.02,;29.09,-34.79,;27.75,-34.02,;29.09,-36.33,;27.76,-37.11,;26.42,-36.34,;25.08,-37.11,;23.75,-36.35,;22.42,-37.12,;21.08,-36.35,;27.76,-38.65,;29.1,-39.42,;26.43,-39.42,;26.43,-40.97,;25.1,-41.74,;25.1,-43.28,;26.44,-44.05,;23.77,-44.06,;23.77,-45.6,;25.11,-46.36,;25.11,-47.91,;26.45,-48.67,;27.78,-47.9,;29.12,-48.67,;22.44,-46.37,;21.11,-45.6,;22.44,-47.91,;23.78,-48.68,;23.78,-50.22,;25.12,-50.99,;25.12,-52.53,;26.46,-50.22,;21.11,-48.69,;19.77,-47.92,;19.77,-46.38,;18.44,-45.61,;17.11,-46.38,;15.77,-45.62,;17.11,-47.93,;18.45,-48.69,;25.09,-38.66,;23.76,-39.43,;22.42,-38.66,;21.09,-39.43,;21.09,-40.97,;19.76,-41.75,;22.44,-41.74,;23.76,-40.96,;27.75,-32.48,;26.41,-31.72,;26.42,-30.17,;25.08,-29.41,;23.74,-30.18,;22.4,-29.41,;23.75,-31.73,;25.09,-32.49,;34.39,-22.46,;35.72,-23.22,;35.72,-24.76,;37.06,-25.53,;38.39,-24.76,;39.73,-25.52,;38.37,-23.21,;37.05,-22.45,;27.71,-14.02,;29.04,-13.24,;29.03,-11.7,;30.35,-10.93,;31.7,-11.7,;33.03,-10.92,;31.7,-13.24,;30.37,-14.02,;21.05,-13.27,;21.05,-11.72,;19.71,-10.98,;19.7,-9.44,;21.04,-8.65,;21.04,-7.11,;22.38,-9.43,;22.38,-10.96,;10.36,-16.89,;9.03,-16.13,;7.71,-16.91,;7.73,-18.45,;9.04,-19.2,;10.37,-18.43,;11.72,-19.19,;13.04,-18.41,;14.37,-19.17,;6.39,-19.21,;6.39,-20.75,;5.04,-21.52,;5.04,-18.45,;3.7,-19.21,)|
Show InChI InChI=1S/C124H163F6N21O14/c1-5-144(6-2)97-55-57-101-109(77-97)165-110-78-98(145(7-3)8-4)56-58-102(110)117(101)99-23-9-10-24-100(99)118(158)143-108(30-16-22-70-136)124(164)151(84-90-41-53-96(130)54-42-90)76-64-116(157)142-107(29-15-21-69-135)123(163)150(83-89-39-51-95(129)52-40-89)75-63-115(156)141-106(28-14-20-68-134)122(162)149(82-88-37-49-94(128)50-38-88)74-62-114(155)140-105(27-13-19-67-133)121(161)148(81-87-35-47-93(127)48-36-87)73-61-113(154)139-104(26-12-18-66-132)120(160)147(80-86-33-45-92(126)46-34-86)72-60-112(153)138-103(25-11-17-65-131)119(159)146(71-59-111(137)152)79-85-31-43-91(125)44-32-85/h9-10,23-24,31-58,77-78,103-108H,5-8,11-22,25-30,59-76,79-84,131-136H2,1-4H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t103-,104-,105-,106-,107-,108-/m0/s1
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Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p...


J Med Chem 60: 6991-6997 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR
More data for this
Ligand-Target Pair