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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-8' and Ligand = 'BDBM50464106'   
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-8


(Homo sapiens (Human))		BDBM50464106
PNG
(CHEMBL4237498)
Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(OC2COC2)c1 |r|
Show InChI InChI=1S/C27H35N3O4/c31-26(32)14-22(21-3-1-5-24(13-21)34-25-17-33-18-25)16-30-12-10-19(15-30)6-8-23-9-7-20-4-2-11-28-27(20)29-23/h1,3,5,7,9,13,19,22,25H,2,4,6,8,10-12,14-18H2,(H,28,29)(H,31,32)/t19-,22-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Antagonist activity at human integrin alphaVbeta8 expressed in human K562 cells assessed as reduction in cell adhesion to GST-LAP after 30 mins by BC...

J Med Chem 61: 8417-8443 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25
More data for this
Ligand-Target Pair