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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-6' and Ligand = 'BDBM50519164'   
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 alpha-V/beta-6


(Homo sapiens (Human))		BDBM50519164
PNG
(CHEMBL4446786)
Show SMILES C[N+]1(C[C@@H](CC([O-])=O)c2cccc(c2)N2CCOCC2)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r|
Show InChI InChI=1S/C29H40N4O3/c1-33(15-11-22(20-33)7-9-26-10-8-23-5-3-12-30-29(23)31-26)21-25(19-28(34)35)24-4-2-6-27(18-24)32-13-16-36-17-14-32/h2,4,6,8,10,18,22,25H,3,5,7,9,11-17,19-21H2,1H3,(H-,30,31,34,35)/t22-,25-,33?/m1/s1
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PC cid
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Article
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta6 (unknown origin) expressed in human K562 cells assessed as reduction in cell adhesion to GST-LAP1 (242 to 252 amin...

J Med Chem 62: 7543-7556 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00819
BindingDB Entry DOI: 10.7270/Q2S75KQH
More data for this
Ligand-Target Pair