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BDBM50087584 (S)-2-[(Acridine-9-carbonyl)-amino]-3-(4-pentyloxy-phenyl)-propionic acid::CHEMBL350083

SMILES: CCCCCOc1ccc(C[C@H](NC(=O)c2c3ccccc3nc3ccccc23)C(O)=O)cc1

InChI Key: InChIKey=XYHGGRIIHGTMBD-VWLOTQADSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50087584   
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
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087584
PNG
((S)-2-[(Acridine-9-carbonyl)-amino]-3-(4-pentyloxy...)
Show SMILES CCCCCOc1ccc(C[C@H](NC(=O)c2c3ccccc3nc3ccccc23)C(O)=O)cc1
Show InChI InChI=1S/C28H28N2O4/c1-2-3-8-17-34-20-15-13-19(14-16-20)18-25(28(32)33)30-27(31)26-21-9-4-6-11-23(21)29-24-12-7-5-10-22(24)26/h4-7,9-16,25H,2-3,8,17-18H2,1H3,(H,30,31)(H,32,33)/t25-/m0/s1
PDB

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PC cid
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Article
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n/an/a 590n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM


Bioorg Med Chem Lett 10: 725-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00088-3
BindingDB Entry DOI: 10.7270/Q2HT2NKS
More data for this
Ligand-Target Pair