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SMILES: COc1ccc(cn1)-c1cnc2sc(N[C@@H]3CC[C@H](N)CC3)nn12

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50603974   
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
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))		BDBM50603974
PNG
(CHEMBL5201904)
Show SMILES COc1ccc(cn1)-c1cnc2sc(N[C@@H]3CC[C@H](N)CC3)nn12 |r,wU:15.15,18.19,(-7.26,4.65,;-5.72,4.65,;-4.95,3.32,;-5.72,1.98,;-4.96,.65,;-3.42,.65,;-2.64,1.99,;-3.42,3.32,;-2.65,-.68,;-3.1,-2.13,;-1.86,-3.05,;-.65,-2.17,;.9,-2.18,;1.42,-.69,;2.91,-.3,;4,-1.38,;3.6,-2.87,;4.69,-3.96,;6.17,-3.56,;7.26,-4.65,;6.57,-2.07,;5.48,-.99,;.2,.22,;-1.11,-.68,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI: 10.7270/Q2H70KXT
More data for this
Ligand-Target Pair