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BDBM50423834 CHEMBL1829032

SMILES: OC(=O)[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1Cl

InChI Key: InChIKey=YJEOAOJXUPJWNJ-UMZZXZJANA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50423834   
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))
BDBM50423834
PNG
(CHEMBL1829032)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1/C29H27Cl3N4O6S/c30-21-3-1-2-4-23(21)43(41,42)36-20-11-7-17(8-12-20)26(36)28(38)34-22(29(39)40)13-16-5-9-19(10-6-16)33-27(37)18-14-24(31)35-25(32)15-18/h1-6,9-10,14-15,17,20,22,26H,7-8,11-13H2,(H,33,37)(H,34,38)(H,39,40)/t17?,20?,22-,26-/s2
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Similars

Article
PubMed
n/an/a 105n/an/an/an/an/an/a



Ian Wark Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta1 integrin


Bioorg Med Chem 19: 5903-11 (2011)


Article DOI: 10.1016/j.bmc.2011.08.011
BindingDB Entry DOI: 10.7270/Q26111MP
More data for this
Ligand-Target Pair