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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)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC

InChI Key: InChIKey=KDRDLRXNWMLMGT-YCICGXTQSA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50238896   
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))
BDBM50238896
PNG
(CHEMBL4072201)
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)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)[C@H](C)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,127.131,61.62,111.113,89.90,143.149,wD:19.20,135.140,47.48,119.122,75.76,103.104,(15.96,-48.69,;14.64,-47.92,;14.64,-46.39,;15.96,-45.63,;16.72,-46.96,;13.31,-45.63,;13.29,-44.12,;11.97,-43.36,;10.67,-44.13,;9.34,-43.37,;9.33,-41.32,;8,-40.57,;7.99,-39.04,;9.31,-38.27,;10.64,-39.03,;10.63,-40.55,;11.96,-41.32,;11.96,-42.86,;13.3,-40.55,;14.64,-41.32,;14.64,-42.86,;15.96,-43.62,;15.96,-45.16,;17.29,-45.93,;17.29,-47.46,;15.97,-40.55,;15.97,-39.01,;17.3,-41.32,;18.64,-40.55,;19.98,-41.32,;21.31,-40.55,;21.31,-39.01,;22.65,-41.32,;23.98,-40.55,;23.98,-39.01,;22.65,-38.23,;22.65,-36.69,;21.31,-35.93,;21.31,-34.38,;25.32,-41.32,;25.32,-42.86,;26.65,-40.55,;27.99,-41.32,;29.33,-40.55,;30.66,-41.32,;30.66,-42.86,;31.99,-40.55,;33.33,-41.32,;33.33,-42.86,;31.99,-43.64,;31.99,-45.18,;30.66,-45.94,;30.66,-47.48,;34.67,-40.55,;34.67,-39.01,;36.01,-41.32,;37.34,-40.55,;38.68,-41.32,;40.01,-40.55,;40.01,-39.01,;41.35,-41.32,;42.68,-40.55,;42.68,-39.01,;41.35,-38.23,;41.35,-36.69,;40.01,-35.93,;40.01,-34.38,;44.02,-41.32,;44.02,-42.86,;45.36,-40.55,;46.69,-41.32,;48.02,-40.55,;49.36,-41.32,;49.36,-42.86,;50.7,-40.55,;52.04,-41.32,;52.04,-42.86,;50.7,-43.64,;50.7,-45.18,;49.36,-45.94,;49.36,-47.48,;53.37,-40.55,;53.37,-39.01,;54.7,-41.32,;56.04,-40.55,;57.38,-41.32,;58.71,-40.55,;58.71,-39.01,;60.05,-41.32,;61.38,-40.55,;61.39,-39.02,;60.07,-38.24,;60.08,-36.71,;58.75,-35.94,;58.76,-34.4,;62.71,-41.33,;62.7,-42.86,;64.04,-40.57,;65.37,-41.34,;66.7,-40.58,;68.03,-41.35,;69.36,-40.59,;68.02,-42.89,;64.05,-39.03,;62.73,-38.26,;65.38,-38.27,;66.7,-39.05,;68.04,-38.29,;68.04,-36.76,;66.71,-35.98,;65.38,-36.75,;54.7,-42.86,;53.37,-43.64,;56.04,-43.64,;57.37,-42.85,;58.7,-43.63,;58.7,-45.17,;57.36,-45.93,;56.03,-45.17,;45.36,-39.01,;44.02,-38.23,;46.69,-38.23,;46.69,-36.69,;48.01,-35.93,;49.35,-36.69,;49.35,-38.24,;48.01,-39.01,;36.01,-42.86,;34.67,-43.64,;37.34,-43.64,;38.67,-42.85,;40.01,-43.63,;40.01,-45.18,;38.66,-45.94,;37.33,-45.17,;26.65,-39.01,;25.32,-38.23,;27.99,-38.23,;27.99,-36.69,;29.32,-35.93,;30.66,-36.69,;30.66,-38.24,;29.32,-39.01,;17.3,-42.86,;16.52,-44.18,;18.64,-43.64,;19.97,-42.85,;21.3,-43.63,;21.3,-45.17,;19.96,-45.94,;18.63,-45.17,;8.02,-44.14,;6.7,-43.39,;5.39,-44.16,;5.41,-45.69,;6.72,-46.44,;8.03,-45.67,;9.36,-46.42,;10.67,-45.65,;12,-46.41,;4.07,-46.45,;4.07,-47.97,;2.74,-48.74,;2.74,-45.69,;1.42,-46.45,)|
Show InChI InChI=1S/C130H181N21O14/c1-11-144(12-2)103-67-69-107-115(89-103)165-116-90-104(145(13-3)14-4)68-70-108(116)123(107)105-59-33-34-60-106(105)124(158)143-114(66-40-46-82-136)130(164)151(96(10)102-57-31-20-32-58-102)88-76-122(157)142-113(65-39-45-81-135)129(163)150(95(9)101-55-29-19-30-56-101)87-75-121(156)141-112(64-38-44-80-134)128(162)149(94(8)100-53-27-18-28-54-100)86-74-120(155)140-111(63-37-43-79-133)127(161)148(93(7)99-51-25-17-26-52-99)85-73-119(154)139-110(62-36-42-78-132)126(160)147(92(6)98-49-23-16-24-50-98)84-72-118(153)138-109(61-35-41-77-131)125(159)146(83-71-117(137)152)91(5)97-47-21-15-22-48-97/h15-34,47-60,67-70,89-96,109-114H,11-14,35-46,61-66,71-88,131-136H2,1-10H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t91-,92-,93-,94-,95-,96-,109+,110+,111+,112+,113+,114+/m1/s1
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Article
PubMed
n/an/a 44n/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