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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-1' and Ligand = 'BDBM50519161'   
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-1


(Homo sapiens (Human))		BDBM50519161
PNG
(CHEMBL4448207)
Show SMILES OC(=O)C[C@H](CN1CC[C@@](F)(CCc2ccc3CCCNc3n2)C1)c1cccc(c1)N1CCOCC1 |r|
Show InChI InChI=1S/C28H37FN4O3/c29-28(9-8-24-7-6-21-4-2-11-30-27(21)31-24)10-12-32(20-28)19-23(18-26(34)35)22-3-1-5-25(17-22)33-13-15-36-16-14-33/h1,3,5-7,17,23H,2,4,8-16,18-20H2,(H,30,31)(H,34,35)/t23-,28+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alphavbeta1 (unknown origin) expressed in human A549 cells assessed as reduction in cell adhesion to LAP-bi by fluore...

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