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SMILES: OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1ccc(nc1)N1CCCCC1)NC1=C(Br)C(=O)C11CCCCC1

InChI Key: InChIKey=IGQAJLNWDRBAAB-SANMLTNESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50243749   
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))		BDBM50243749
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)-c1ccc(nc1)N1CCCCC1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:38|
Show InChI InChI=1S/C34H35BrN6O3/c35-28-29(34(30(28)42)15-3-1-4-16-34)38-26(33(43)44)20-22-9-12-24(13-10-22)41-31(39-25-8-7-17-36-32(25)41)23-11-14-27(37-21-23)40-18-5-2-6-19-40/h7-14,17,21,26,38H,1-6,15-16,18-20H2,(H,43,44)/t26-/m0/s1
PDB

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Similars
Article
PubMed
n/an/a 83n/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