BindingDB logo
myBDB logout

null

SMILES: COc1ccc2[nH]nc(C(=O)NCC3CCN(CCCNC(=O)C#CC)CC3)c2c1

InChI Key: InChIKey=RSNPNQJDIOQTSQ-UHFFFAOYSA-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 = 314409   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314409
PNG
(N-({1-[3-(but-2-ynoylamino)propyl] piperidin-4-yl}...)
Show SMILES COc1ccc2[nH]nc(C(=O)NCC3CCN(CCCNC(=O)C#CC)CC3)c2c1
Show InChI InChI=1S/C22H29N5O3/c1-3-5-20(28)23-10-4-11-27-12-8-16(9-13-27)15-24-22(29)21-18-14-17(30-2)6-7-19(18)25-26-21/h6-7,14,16H,4,8-13,15H2,1-2H3,(H,23,28)(H,24,29)(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 880n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair