BindingDB logo
myBDB logout

null

SMILES: COC(=O)[C@H](CO)NC(=O)COc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12

InChI Key: InChIKey=ZKGVNCJGAJZESI-QFIPXVFZSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50439935   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50439935
PNG
(CHEMBL2420264)
Show SMILES COC(=O)[C@H](CO)NC(=O)COc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 |r|
Show InChI InChI=1S/C31H28N2O8S/c1-38-31(37)22(16-34)32-26(36)17-40-24-10-9-19(30-28(24)21-5-2-3-8-25(21)42-30)18-6-4-7-20-23(35)15-27(41-29(18)20)33-11-13-39-14-12-33/h2-10,15,22,34H,11-14,16-17H2,1H3,(H,32,36)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay

J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair