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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'WD repeat-containing protein 5' and Ligand = 'BDBM50520135'   
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
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM50520135
PNG
(CHEMBL4463486)
Show SMILES COc1cc(CN2CCc3c(cc(Cn4cnn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1
Show InChI InChI=1S/C29H30FN5O3/c1-18-9-21(30)5-6-24(18)26-12-20(16-35-17-32-33(2)29(35)31)13-27-25(26)7-8-34(28(27)36)15-19-10-22(37-3)14-23(11-19)38-4/h5-6,9-14,17,31H,7-8,15-16H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.0230n/an/an/an/an/a



Frederick National Laboratory for Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human N-terminal His6-SUMO tagged WDR5 (22 to 334 residues) expressed in Escherichia coli BL21-Gold(DE3) cells using 10-mer...

J Med Chem 63: 656-675 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01608
BindingDB Entry DOI: 10.7270/Q2HD801W
More data for this
Ligand-Target Pair