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SMILES: CCCC[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O

InChI Key: InChIKey=SSAHSQILZINFGI-OEUSGMNSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 16907   
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/beta-1 [T112H]


(Homo sapiens (Human))		BDBM16907
PNG
((3S)-3-{[(2S,3S)-1-[(2S)-2-carbamoylpyrrolidin-1-y...)
Show SMILES CCCC[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C36H49N7O8/c1-5-7-12-26(39-32(47)23-15-17-24(18-16-23)38-36(51)41-25-13-9-8-11-22(25)4)33(48)40-27(20-29(44)45)34(49)42-30(21(3)6-2)35(50)43-19-10-14-28(43)31(37)46/h8-9,11,13,15-18,21,26-28,30H,5-7,10,12,14,19-20H2,1-4H3,(H2,37,46)(H,39,47)(H,40,48)(H,42,49)(H,44,45)(H2,38,41,51)/t21?,26-,27-,28-,30-/m0/s1
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Similars
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of California Davis



Assay Description
Binding affinities (IC50) of the ligands were studied in a Jurkat cell adhesion assay by inhibiting the alpha-4/beta-1 mediated cell adhesion to CS-1...

Biopolymers 84: 595-604 (2006)


Article DOI: 10.1002/bip.20588
BindingDB Entry DOI: 10.7270/Q2PR7T74
More data for this
Ligand-Target Pair