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BDBM50144069 (S)-2-(2,6-Dimethyl-benzoylamino)-3-(1H-indol-3-yl)-propionic acid::CHEMBL304905

SMILES: Cc1cccc(C)c1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=DEGQRJCTRCTPIT-KRWDZBQOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50144069   
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
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50144069
PNG
((S)-2-(2,6-Dimethyl-benzoylamino)-3-(1H-indol-3-yl...)
Show SMILES Cc1cccc(C)c1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C20H20N2O3/c1-12-6-5-7-13(2)18(12)19(23)22-17(20(24)25)10-14-11-21-16-9-4-3-8-15(14)16/h3-9,11,17,21H,10H2,1-2H3,(H,22,23)(H,24,25)/t17-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitory activity against association of LFA-1 with intercellular adhesion molecule 1


Bioorg Med Chem Lett 14: 2055-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.046
BindingDB Entry DOI: 10.7270/Q2T1532F
More data for this
Ligand-Target Pair