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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peregrin' and Ligand = 'BDBM50189337'   
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))		BDBM50189337
PNG
(CHEMBL3827554)
Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1OCCN(C)C
Show InChI InChI=1S/C23H30N4O4/c1-15(2)31-21-14-19-18(26(5)23(29)27(19)6)13-17(21)24-22(28)16-9-7-8-10-20(16)30-12-11-25(3)4/h7-10,13-15H,11-12H2,1-6H3,(H,24,28)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
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