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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peregrin' and Ligand = 'BDBM50189402'   
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))
BDBM50189402
PNG
(CHEMBL3828008)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCC[C@@H]1C |r|
Show InChI InChI=1/C22H26N4O3/c1-14-8-7-11-26(14)17-13-19-18(24(2)22(28)25(19)3)12-16(17)23-21(27)15-9-5-6-10-20(15)29-4/h5-6,9-10,12-14H,7-8,11H2,1-4H3,(H,23,27)/t14-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 16n/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)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair