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BDBM50238895 CHEMBL4105404

SMILES: CCCCCCCCCCCCCCCC(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CCCCN)C(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(N)=O

InChI Key: InChIKey=PSSLEXJITBWQCR-AWSPCSPMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50238895   
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))
BDBM50238895
PNG
(CHEMBL4105404)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CCCCN)C(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1S/C72H129N23O13/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-33-58(98)87-52(34-36-56(74)96)65(104)90-51(32-26-41-85-72(81)82)64(103)93-54(42-45(2)3)67(106)94-55(43-47-27-19-18-20-28-47)68(107)91-53(35-37-57(75)97)66(105)95-60(46(4)5)69(108)92-49(29-22-23-38-73)62(101)86-44-59(99)88-50(31-25-40-84-71(79)80)63(102)89-48(61(76)100)30-24-39-83-70(77)78/h18-20,27-28,45-46,48-55,60H,6-17,21-26,29-44,73H2,1-5H3,(H2,74,96)(H2,75,97)(H2,76,100)(H,86,101)(H,87,98)(H,88,99)(H,89,102)(H,90,104)(H,91,107)(H,92,108)(H,93,103)(H,94,106)(H,95,105)(H4,77,78,83)(H4,79,80,84)(H4,81,82,85)/t48-,49-,50-,51-,52-,53-,54-,55-,60-/m1/s1
PDB

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Article
PubMed
n/an/a 1.12E+3n/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