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SMILES: OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1CCCCN1)NC1=C(Br)C(=O)C11CCCCC1

InChI Key: InChIKey=MONYNIRDTFXWKB-IAXKEJLGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50243823   
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 alpha-4


(Homo sapiens (Human))		BDBM50243823
PNG
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1CCCCN1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:31|
Show InChI InChI=1S/C29H32BrN5O3/c30-23-24(29(25(23)36)13-3-1-4-14-29)33-22(28(37)38)17-18-9-11-19(12-10-18)35-26-21(8-6-16-32-26)34-27(35)20-7-2-5-15-31-20/h6,8-12,16,20,22,31,33H,1-5,7,13-15,17H2,(H,37,38)/t20?,22-/m0/s1
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Similars
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry

Bioorg Med Chem Lett 18: 4146-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ
More data for this
Ligand-Target Pair