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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peregrin' and Ligand = 'BDBM50032918'   
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))		BDBM50032918
PNG
(CHEMBL3356140)
Show SMILES COc1cccc(c1)C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCCC1
Show InChI InChI=1S/C22H26N4O3/c1-24-19-13-17(23-21(27)15-8-7-9-16(12-15)29-3)18(26-10-5-4-6-11-26)14-20(19)25(2)22(24)28/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,23,27)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay

ACS Med Chem Lett 5: 1190-5 (2014)


Article DOI: 10.1021/ml5002932
BindingDB Entry DOI: 10.7270/Q2445P29
More data for this
Ligand-Target Pair