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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-NJFBVADJSA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50238894   
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))
BDBM50238894
PNG
(CHEMBL4062488)
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:47.48,127.131,75.76,111.113,103.104,143.149,wD:19.20,33.34,135.140,61.62,119.122,89.90,(52.48,-50.31,;53.81,-49.54,;53.81,-48,;52.48,-47.23,;51.14,-48,;55.14,-47.23,;55.14,-45.69,;56.48,-44.92,;57.81,-45.69,;59.14,-44.92,;59.14,-43.38,;60.48,-42.61,;60.48,-41.07,;59.14,-40.3,;57.81,-41.07,;57.81,-42.61,;56.48,-43.38,;55.57,-44.63,;55.14,-42.61,;55.14,-41.07,;56.48,-40.3,;56.48,-38.76,;57.81,-37.99,;57.81,-36.45,;59.14,-35.68,;53.81,-40.3,;53.81,-38.76,;52.48,-41.07,;51.14,-40.3,;49.81,-41.07,;48.47,-40.3,;48.5,-38.78,;47.14,-41.07,;45.81,-40.3,;45.81,-38.76,;47.14,-37.99,;47.14,-36.45,;48.47,-35.68,;48.47,-34.14,;44.47,-41.07,;44.47,-42.61,;43.14,-40.3,;41.81,-41.07,;40.47,-40.3,;39.14,-41.07,;39.14,-42.61,;37.81,-40.3,;36.47,-41.07,;36.47,-42.61,;37.81,-43.38,;37.81,-44.92,;39.14,-45.69,;39.14,-47.23,;35.14,-40.3,;35.14,-38.76,;33.8,-41.07,;32.47,-40.3,;31.14,-41.07,;29.8,-40.3,;29.8,-38.76,;28.47,-41.07,;27.14,-40.3,;27.14,-38.76,;25.8,-37.99,;25.8,-36.45,;24.47,-35.68,;24.47,-34.14,;25.8,-41.07,;25.8,-42.61,;24.47,-40.3,;23.13,-41.07,;21.8,-40.3,;20.47,-41.07,;20.47,-42.61,;19.13,-40.3,;17.8,-41.07,;17.8,-42.61,;19.13,-43.38,;19.13,-44.92,;20.47,-45.69,;20.47,-47.23,;16.47,-40.3,;16.47,-38.76,;15.13,-41.07,;13.8,-40.3,;12.47,-41.07,;11.13,-40.3,;11.13,-38.76,;9.8,-41.07,;8.46,-40.3,;8.46,-38.76,;7.13,-37.99,;7.13,-36.45,;5.8,-35.68,;5.8,-34.14,;7.13,-41.07,;7.13,-42.61,;5.8,-40.3,;5.8,-38.76,;4.46,-37.99,;4.46,-36.45,;3.13,-35.68,;5.09,-35.04,;4.46,-41.07,;4.46,-42.61,;3.13,-40.3,;1.8,-41.07,;.46,-40.3,;.46,-38.76,;1.8,-37.99,;3.13,-38.76,;15.13,-42.61,;16.47,-43.38,;13.8,-43.38,;13.8,-44.92,;12.47,-45.69,;11.13,-44.92,;11.13,-43.38,;12.47,-42.61,;24.47,-38.76,;24.43,-37.08,;23.13,-37.99,;21.8,-38.76,;20.47,-37.99,;20.47,-36.45,;21.8,-35.68,;23.13,-36.45,;33.8,-42.61,;35.14,-43.38,;32.47,-43.38,;32.47,-44.92,;31.14,-45.69,;29.8,-44.92,;29.8,-43.38,;31.14,-42.61,;43.14,-38.76,;44.47,-37.99,;41.81,-37.99,;40.47,-38.76,;39.14,-37.99,;39.14,-36.45,;40.47,-35.68,;41.81,-36.45,;52.48,-42.61,;53.81,-43.38,;51.14,-43.38,;51.14,-44.92,;49.81,-45.69,;48.47,-44.92,;48.47,-43.38,;49.81,-42.61,;60.48,-45.69,;61.81,-44.92,;63.14,-45.69,;63.14,-47.23,;61.81,-48,;60.48,-47.23,;59.14,-48,;57.81,-47.23,;56.48,-48,;64.48,-48,;64.48,-49.54,;65.81,-50.31,;65.81,-47.23,;67.15,-48,)|
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-/m0/s1
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Similars

Article
PubMed
n/an/a 34n/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