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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase catalytic subunit' and Ligand = 'BDBM420860'   
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
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM420860
PNG
(US10479784, Compound IIA-13 | US10961232, Compound...)
Show SMILES CNCc1ccc(cc1Cl)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C24H24ClN5O3S/c1-14(2)34(31,32)18-8-6-15(7-9-18)21-13-28-24(26)23(29-21)22-11-20(30-33-22)16-4-5-17(12-27-3)19(25)10-16/h4-11,13-14,27H,12H2,1-3H3,(H2,26,28)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human full-length DNA-PK using EPPLSQEAFADLWKKK peptide as substrate measured after 2 hrs in presence of [gamma-33...

J Med Chem 62: 5547-5561 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00426
BindingDB Entry DOI: 10.7270/Q2BZ69C9
More data for this
Ligand-Target Pair