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BDBM24252 (3S)-3-amino-3-{[4-(benzyloxy)phenyl]carbamoyl}propanoic acid::Amino acid analog, 4b

SMILES: N[C@@H](CC(O)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=VTMSXGVEMJOFRJ-GGYSOQFKNA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 24252   
Target
(Institution)
LigandTarget
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
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM24252
PNG
((3S)-3-amino-3-{[4-(benzyloxy)phenyl]carbamoyl}pro...)
Show SMILES N[C@@H](CC(O)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
Show InChI InChI=1/C17H18N2O4/c18-15(10-16(20)21)17(22)19-13-6-8-14(9-7-13)23-11-12-4-2-1-3-5-12/h1-9,15H,10-11,18H2,(H,19,22)(H,20,21)/t15-/s2
PDB
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PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 5.40E+3n/an/an/an/a7.522



Berlex Biosciences



Assay Description
Compound potency against the peptidase activity of LTA4 hydrolase was measured by inhibition of the hydrolysis of L-alanine-p-nitroanilide to L-alani...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)