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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mast/stem cell growth factor receptor Kit' and Ligand = 'BDBM50297394'   
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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50297394
PNG
(CHEMBL4171115)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)c(F)c3)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C33H32F3N5O5S/c1-44-28-17-21-26(18-29(28)45-15-5-14-40-12-2-3-13-40)37-11-10-27(21)46-20-8-9-25(24(36)16-20)38-33(43)39-41-30(42)19-47-32(41)31-22(34)6-4-7-23(31)35/h4,6-11,16-18,32H,2-3,5,12-15,19H2,1H3,(H2,38,39,43)
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n/an/a 29n/an/an/an/an/an/a



Zhuhai Campus of Zunyi Medical University

Curated by ChEMBL


Assay Description
Inhibition of [125I]VCAM-Ig binding to VLA-4 of Jurkat cells in the presence of [Ca2+]

Eur J Med Chem 146: 368-380 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.061
BindingDB Entry DOI: 10.7270/Q2BP059Q
More data for this
Ligand-Target Pair