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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin beta-1' AND taxid = 9606   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Integrin beta-1


(Homo sapiens (Human))		BDBM50137079
PNG
((S)-17-Amino-11-((S)-sec-butyl)-14-(2-carbamoyl-et...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@@H](CC(O)=O)NC1=O)C(O)=O
Show InChI InChI=1S/C29H46N8O12S2/c1-3-13(2)22-27(46)33-16(9-21(40)41)25(44)34-17(10-38)28(47)37-8-4-5-19(37)26(45)35-18(29(48)49)12-51-50-11-14(30)23(42)32-15(24(43)36-22)6-7-20(31)39/h13-19,22,38H,3-12,30H2,1-2H3,(H2,31,39)(H,32,42)(H,33,46)(H,34,44)(H,35,45)(H,36,43)(H,40,41)(H,48,49)/t13-,14+,15+,16+,17-,18+,19+,22-/m0/s1
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Similars
Article
PubMed
n/an/a 1.44E+6n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta1 interaction to vascular cell adhesion molecule-1 (VCAM-1) was determined

J Med Chem 46: 5752-62 (2003)


Article DOI: 10.1021/jm020487h
BindingDB Entry DOI: 10.7270/Q2V1246T
More data for this
Ligand-Target Pair