BindingDB logo
myBDB logout

null

SMILES: C[C@@H]1CN(CCO1)c1cc(O[C@@H]2CC[C@@H](CC2)Nc2ncccn2)c2nccnc2c1

InChI Key:

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 = 50594891   
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))		BDBM50594891
PNG
(CHEMBL5171087)
Show SMILES C[C@@H]1CN(CCO1)c1cc(O[C@@H]2CC[C@@H](CC2)Nc2ncccn2)c2nccnc2c1 |r,wU:11.11,14.18,1.0,(6.01,-5,;4.68,-4.23,;4.68,-2.69,;3.35,-1.92,;2.01,-2.69,;2.01,-4.23,;3.35,-5,;3.35,-.38,;2.01,.38,;1.99,1.91,;.66,2.68,;-.67,1.91,;-2.01,2.68,;-3.34,1.91,;-3.34,.37,;-2.01,-.4,;-.67,.37,;-4.67,-.4,;-4.67,-1.94,;-3.34,-2.71,;-3.34,-4.24,;-4.68,-5.01,;-6,-4.25,;-6.01,-2.71,;3.33,2.7,;3.33,4.24,;4.66,5.01,;5.99,4.24,;5.99,2.7,;4.67,1.93,;4.67,.4,)|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<100n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114109
BindingDB Entry DOI: 10.7270/Q2XK8KKJ
More data for this
Ligand-Target Pair