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BDBM50050933 (S)-2-((S)-2-{(S)-2-[3-(4-Chloro-phenyl)-ureido]-4-methylsulfanyl-butyrylamino}-4-methyl-pentanoylamino)-3-phenyl-propionic acid::CHEMBL267388

SMILES: CSCC[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=IRRCGGPOOAUNHN-VABKMULXSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50050933   
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))
BDBM50050933
PNG
((S)-2-((S)-2-{(S)-2-[3-(4-Chloro-phenyl)-ureido]-4...)
Show SMILES CSCC[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H35ClN4O5S/c1-17(2)15-22(25(34)31-23(26(35)36)16-18-7-5-4-6-8-18)30-24(33)21(13-14-38-3)32-27(37)29-20-11-9-19(28)10-12-20/h4-12,17,21-23H,13-16H2,1-3H3,(H,30,33)(H,31,34)(H,35,36)(H2,29,32,37)/t21-,22-,23-/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/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
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50050933
PNG
((S)-2-((S)-2-{(S)-2-[3-(4-Chloro-phenyl)-ureido]-4...)
Show SMILES CSCC[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H35ClN4O5S/c1-17(2)15-22(25(34)31-23(26(35)36)16-18-7-5-4-6-8-18)30-24(33)21(13-14-38-3)32-27(37)29-20-11-9-19(28)10-12-20/h4-12,17,21-23H,13-16H2,1-3H3,(H,30,33)(H,31,34)(H,35,36)(H2,29,32,37)/t21-,22-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Agonistic activity was determined by measuring the ability to induce superoxide production(as measured by reduction of cytochrome C) using human neut...


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