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BDBM50050927 (S)-2-{(S)-2-[(S)-2-(3-Isopropenyl-ureido)-4-methylsulfanyl-butyrylamino]-4-methyl-pentanoylamino}-3-phenyl-propionic acid::CHEMBL266089

SMILES: [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)\[#7]=[#6](\[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O

InChI Key: InChIKey=KOEIXEAGAXUHKI-UFYCRDLUSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50050927   
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
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50050927
PNG
((S)-2-{(S)-2-[(S)-2-(3-Isopropenyl-ureido)-4-methy...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)\[#7]=[#6](\[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O
Show InChI InChI=1S/C24H36N4O5S/c1-15(2)13-19(22(30)27-20(23(31)32)14-17-9-7-6-8-10-17)26-21(29)18(11-12-34-5)28-24(33)25-16(3)4/h6-10,15,18-20H,11-14H2,1-5H3,(H,26,29)(H,27,30)(H,28,33)(H,31,32)/t18-,19-,20-/m0/s1
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PC sid
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Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair