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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peregrin' and Ligand = 'BDBM50540520'   
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))
BDBM50540520
PNG
(CHEMBL4644517)
Show SMILES CCCc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
Show InChI InChI=1S/C20H29N5O/c1-4-7-17-18(15-22-24(3)20(17)26)21-14-16-8-5-6-9-19(16)25-12-10-23(2)11-13-25/h5-6,8-9,15,21H,4,7,10-14H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRPF1 (E627 to G740 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair