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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peregrin' and Ligand = 'BDBM50189410'   
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))
BDBM50189410
PNG
(CHEMBL3828449)
Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1OCCO
Show InChI InChI=1S/C21H25N3O5/c1-13(2)29-19-12-17-16(23(3)21(27)24(17)4)11-15(19)22-20(26)14-7-5-6-8-18(14)28-10-9-25/h5-8,11-13,25H,9-10H2,1-4H3,(H,22,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 126n/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