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BDBM50130719 4-[5-Piperidin-1-ylmethyl-4-(5-pyridin-4-yl-4H-[1,2,4]triazol-3-yl)-[1,2,3]triazol-1-yl]-furazan-3-ylamine::CHEMBL326705

SMILES: Nc1nonc1-n1nnc(-c2nnc([nH]2)-c2ccncc2)c1CN1CCCCC1

InChI Key: InChIKey=YIBIAWNWSWZFSR-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50130719   
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
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50130719
PNG
(4-[5-Piperidin-1-ylmethyl-4-(5-pyridin-4-yl-4H-[1,...)
Show SMILES Nc1nonc1-n1nnc(-c2nnc([nH]2)-c2ccncc2)c1CN1CCCCC1
Show InChI InChI=1S/C17H19N11O/c18-14-17(25-29-24-14)28-12(10-27-8-2-1-3-9-27)13(21-26-28)16-20-15(22-23-16)11-4-6-19-7-5-11/h4-7H,1-3,8-10H2,(H2,18,24)(H,20,22,23)
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n/an/a>2.50E+5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 2-cyclin A


J Med Chem 46: 3333-41 (2003)


Article DOI: 10.1021/jm021095d
BindingDB Entry DOI: 10.7270/Q2F76D9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50130719
PNG
(4-[5-Piperidin-1-ylmethyl-4-(5-pyridin-4-yl-4H-[1,...)
Show SMILES Nc1nonc1-n1nnc(-c2nnc([nH]2)-c2ccncc2)c1CN1CCCCC1
Show InChI InChI=1S/C17H19N11O/c18-14-17(25-29-24-14)28-12(10-27-8-2-1-3-9-27)13(21-26-28)16-20-15(22-23-16)11-4-6-19-7-5-11/h4-7H,1-3,8-10H2,(H2,18,24)(H,20,22,23)
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n/an/a 280n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycogen synthase kinase-3beta (GSK3-beta) at 100 uM ATP


J Med Chem 46: 3333-41 (2003)


Article DOI: 10.1021/jm021095d
BindingDB Entry DOI: 10.7270/Q2F76D9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50130719
PNG
(4-[5-Piperidin-1-ylmethyl-4-(5-pyridin-4-yl-4H-[1,...)
Show SMILES Nc1nonc1-n1nnc(-c2nnc([nH]2)-c2ccncc2)c1CN1CCCCC1
Show InChI InChI=1S/C17H19N11O/c18-14-17(25-29-24-14)28-12(10-27-8-2-1-3-9-27)13(21-26-28)16-20-15(22-23-16)11-4-6-19-7-5-11/h4-7H,1-3,8-10H2,(H2,18,24)(H,20,22,23)
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n/an/a 280n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using YRRAAVPPSPSLSRHSSPHQS(PO4)EDEEENH as substrate after 60 mins in presence of [gamma32P]ATP by TopCount method


Eur J Med Chem 125: 464-477 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.058
BindingDB Entry DOI: 10.7270/Q2CN76CN
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50130719
PNG
(4-[5-Piperidin-1-ylmethyl-4-(5-pyridin-4-yl-4H-[1,...)
Show SMILES Nc1nonc1-n1nnc(-c2nnc([nH]2)-c2ccncc2)c1CN1CCCCC1
Show InChI InChI=1S/C17H19N11O/c18-14-17(25-29-24-14)28-12(10-27-8-2-1-3-9-27)13(21-26-28)16-20-15(22-23-16)11-4-6-19-7-5-11/h4-7H,1-3,8-10H2,(H2,18,24)(H,20,22,23)
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n/an/a 2.50E+5n/an/an/an/an/an/a



The Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclinA at 10 mM


Trends Pharmacol Sci 25: 471-80 (2004)


Article DOI: 10.1016/j.tips.2004.07.006
BindingDB Entry DOI: 10.7270/Q2VX0HG5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50130719
PNG
(4-[5-Piperidin-1-ylmethyl-4-(5-pyridin-4-yl-4H-[1,...)
Show SMILES Nc1nonc1-n1nnc(-c2nnc([nH]2)-c2ccncc2)c1CN1CCCCC1
Show InChI InChI=1S/C17H19N11O/c18-14-17(25-29-24-14)28-12(10-27-8-2-1-3-9-27)13(21-26-28)16-20-15(22-23-16)11-4-6-19-7-5-11/h4-7H,1-3,8-10H2,(H2,18,24)(H,20,22,23)
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n/an/a 280n/an/an/an/an/an/a



The Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Trends Pharmacol Sci 25: 471-80 (2004)


Article DOI: 10.1016/j.tips.2004.07.006
BindingDB Entry DOI: 10.7270/Q2VX0HG5
More data for this
Ligand-Target Pair