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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin beta-7' and Ligand = 'BDBM50137078'   
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-7


(Homo sapiens (Human))		BDBM50137078
PNG
(2-[4-benzyloxy-1-isobutoxymethyl-5a,9a-dimethoxy-(...)
Show SMILES [H][C@]12O[C@]3(CCCC[C@@]3(OC)OC1[C@H](COCC(C)C)O[C@@H](OCC(O)=O)[C@@H]2OCc1ccccc1)OC
Show InChI InChI=1S/C27H40O10/c1-18(2)14-32-16-20-22-23(37-27(31-4)13-9-8-12-26(27,30-3)36-22)24(25(35-20)34-17-21(28)29)33-15-19-10-6-5-7-11-19/h5-7,10-11,18,20,22-25H,8-9,12-17H2,1-4H3,(H,28,29)/t20-,22?,23-,24+,25+,26+,27-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20E+5n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 interaction to mucosal addressin cell adhesion molecule-1 (MAdCAM-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