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BDBM50238902 CHEMBL4079416

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)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)c3ccc(cc3oc2c1)=[N+](CC)CC

InChI Key: InChIKey=ACTBICGCXNUKEJ-YNFJQVIKSA-O

Data: 1 IC50

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 = 50238902   
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))
BDBM50238902
PNG
(CHEMBL4079416)
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)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)Cc3cc(F)c(F)c(F)c3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(16.94,-17.7,;15.62,-16.93,;14.29,-17.7,;14.29,-19.24,;15.62,-20.01,;12.95,-16.93,;12.94,-15.41,;11.61,-14.64,;10.29,-15.41,;8.95,-14.65,;8.95,-12.59,;7.6,-11.83,;7.6,-10.29,;8.93,-9.51,;10.26,-10.28,;10.25,-11.81,;11.58,-12.59,;11.58,-14.14,;12.94,-11.81,;14.29,-12.59,;14.29,-14.14,;15.62,-14.91,;15.62,-16.44,;16.95,-17.21,;18.28,-16.44,;15.63,-11.81,;15.63,-10.25,;16.97,-12.59,;16.98,-14.12,;18.31,-14.89,;19.64,-14.11,;19.64,-12.58,;20.98,-14.88,;22.3,-14.11,;22.3,-12.57,;23.64,-11.79,;23.63,-10.25,;24.96,-9.48,;24.95,-7.94,;23.64,-14.87,;23.65,-16.41,;24.97,-14.1,;26.3,-14.87,;26.3,-16.4,;27.65,-17.17,;28.98,-16.39,;27.64,-18.7,;28.98,-19.47,;30.31,-18.7,;31.64,-19.46,;32.97,-18.69,;34.31,-19.46,;35.63,-18.69,;28.99,-21.01,;27.66,-21.78,;30.31,-21.77,;30.32,-23.31,;28.99,-24.09,;29,-25.62,;30.32,-26.38,;27.67,-26.39,;27.67,-27.94,;29.01,-28.7,;29.01,-30.24,;30.34,-31.01,;31.68,-30.24,;33.02,-31.01,;26.33,-28.71,;25,-27.94,;26.34,-30.25,;27.68,-31.02,;27.68,-32.56,;26.34,-33.33,;25.01,-32.57,;26.35,-34.88,;25.02,-35.65,;23.68,-34.88,;22.34,-35.66,;21.01,-34.89,;19.68,-35.66,;18.34,-34.9,;25.02,-37.19,;26.35,-37.96,;23.69,-37.97,;23.69,-39.51,;22.35,-40.28,;22.36,-41.82,;23.7,-42.59,;21.03,-42.6,;21.03,-44.14,;22.36,-44.91,;22.37,-46.45,;23.71,-47.22,;25.04,-46.44,;26.38,-47.21,;19.7,-44.91,;18.36,-44.15,;19.7,-46.45,;21.04,-47.22,;21.04,-48.76,;22.37,-49.53,;22.38,-51.07,;23.71,-48.76,;18.37,-47.23,;17.03,-46.46,;17.03,-44.92,;15.7,-44.15,;15.69,-42.61,;14.36,-44.93,;13.02,-44.16,;14.37,-46.48,;13.04,-47.25,;15.71,-47.24,;22.35,-37.2,;21.01,-37.97,;19.68,-37.2,;18.35,-37.97,;17.01,-37.21,;18.35,-39.52,;17.02,-40.29,;19.7,-40.28,;19.71,-41.83,;21.02,-39.51,;25,-31.03,;23.67,-30.26,;23.67,-28.72,;22.33,-27.95,;22.33,-26.41,;21,-28.72,;19.66,-27.96,;21.01,-30.27,;19.68,-31.05,;22.34,-31.03,;31.64,-21,;32.98,-21.77,;34.3,-20.99,;35.63,-21.75,;36.96,-20.97,;35.64,-23.3,;36.98,-24.06,;34.31,-24.07,;34.31,-25.61,;32.98,-23.3,;24.96,-12.56,;26.29,-11.78,;26.28,-10.25,;27.61,-9.48,;27.6,-7.93,;28.95,-10.24,;30.28,-9.46,;28.96,-11.79,;30.3,-12.55,;27.63,-12.56,;18.31,-11.82,;18.3,-10.26,;16.97,-9.52,;16.96,-7.98,;15.62,-7.22,;18.3,-7.19,;18.29,-5.65,;19.63,-7.97,;20.97,-7.2,;19.64,-9.5,;7.62,-15.44,;6.29,-14.67,;4.97,-15.45,;4.99,-16.99,;6.3,-17.75,;7.62,-16.97,;8.97,-17.73,;10.29,-16.95,;11.63,-17.72,;3.64,-17.76,;3.64,-19.29,;2.3,-20.06,;2.3,-16.99,;.96,-17.76,)|
Show InChI InChI=1S/C124H151F18N21O14/c1-5-156(6-2)79-31-33-83-103(65-79)177-104-66-80(157(7-3)8-4)32-34-84(104)111(83)81-23-9-10-24-82(81)118(170)155-102(30-16-22-46-148)124(176)163(72-78-63-95(135)117(142)96(136)64-78)52-40-110(169)154-101(29-15-21-45-147)123(175)162(71-77-61-93(133)116(141)94(134)62-77)51-39-109(168)153-100(28-14-20-44-146)122(174)161(70-76-59-91(131)115(140)92(132)60-76)50-38-108(167)152-99(27-13-19-43-145)121(173)160(69-75-57-89(129)114(139)90(130)58-75)49-37-107(166)151-98(26-12-18-42-144)120(172)159(68-74-55-87(127)113(138)88(128)56-74)48-36-106(165)150-97(25-11-17-41-143)119(171)158(47-35-105(149)164)67-73-53-85(125)112(137)86(126)54-73/h9-10,23-24,31-34,53-66,97-102H,5-8,11-22,25-30,35-52,67-72,143-148H2,1-4H3,(H7-,149,150,151,152,153,154,155,164,165,166,167,168,169,170)/p+1/t97-,98-,99-,100-,101-,102-/m0/s1
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Similars

Article
PubMed
n/an/a 53n/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