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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peregrin' and Ligand = 'BDBM50189341'   
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
Peregrin


(Homo sapiens (Human))		BDBM50189341
PNG
(CHEMBL3827750)
Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1OC1CCN(C)C1
Show InChI InChI=1S/C24H30N4O4/c1-15(2)31-22-13-20-19(27(4)24(30)28(20)5)12-18(22)25-23(29)17-8-6-7-9-21(17)32-16-10-11-26(3)14-16/h6-9,12-13,15-16H,10-11,14H2,1-5H3,(H,25,29)
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PC sid
UniChem

Similars
Article
PubMed
n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...

ACS Med Chem Lett 7: 552-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00092
BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair