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BDBM50499153 CHEMBL3091673

SMILES: COc1cc2CCN(CC(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)Cc2cc1OC

InChI Key: InChIKey=ZDNTZQGZVGAPGQ-JMIUGGIZSA-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 = 50499153   
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))
BDBM50499153
PNG
(CHEMBL3091673)
Show SMILES COc1cc2CCN(CC(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)Cc2cc1OC
Show InChI InChI=1S/C25H25N5O4/c1-33-22-7-15-5-6-30(12-16(15)8-23(22)34-2)13-24(31)28-17-3-4-21-19(9-17)20(25(32)29-21)10-18-11-26-14-27-18/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,26,27)(H,28,31)(H,29,32)/b20-10-
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n/an/a 272n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) in presence of 10 uM ATP incubated for 1 hr by Z'Lyte assay


Eur J Med Chem 105: 274-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.020
BindingDB Entry DOI: 10.7270/Q23B6349
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50499153
PNG
(CHEMBL3091673)
Show SMILES COc1cc2CCN(CC(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)Cc2cc1OC
Show InChI InChI=1S/C25H25N5O4/c1-33-22-7-15-5-6-30(12-16(15)8-23(22)34-2)13-24(31)28-17-3-4-21-19(9-17)20(25(32)29-21)10-18-11-26-14-27-18/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,26,27)(H,28,31)(H,29,32)/b20-10-
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UniChem
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n/an/a 980n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin) incubated for 1 hr by Z'Lyte assay


Eur J Med Chem 105: 274-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.020
BindingDB Entry DOI: 10.7270/Q23B6349
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50499153
PNG
(CHEMBL3091673)
Show SMILES COc1cc2CCN(CC(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)Cc2cc1OC
Show InChI InChI=1S/C25H25N5O4/c1-33-22-7-15-5-6-30(12-16(15)8-23(22)34-2)13-24(31)28-17-3-4-21-19(9-17)20(25(32)29-21)10-18-11-26-14-27-18/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,26,27)(H,28,31)(H,29,32)/b20-10-
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UniChem
Article
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n/an/a 884n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha (unknown origin) in presence of 10 uM ATP incubated for 1 hr by Z'Lyte assay


Eur J Med Chem 105: 274-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.020
BindingDB Entry DOI: 10.7270/Q23B6349
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50499153
PNG
(CHEMBL3091673)
Show SMILES COc1cc2CCN(CC(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)Cc2cc1OC
Show InChI InChI=1S/C25H25N5O4/c1-33-22-7-15-5-6-30(12-16(15)8-23(22)34-2)13-24(31)28-17-3-4-21-19(9-17)20(25(32)29-21)10-18-11-26-14-27-18/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,26,27)(H,28,31)(H,29,32)/b20-10-
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n/an/a 998n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin) in presence of 25 uM ATP incubated for 1 hr by Z'Lyte assay


Eur J Med Chem 105: 274-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.020
BindingDB Entry DOI: 10.7270/Q23B6349
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50499153
PNG
(CHEMBL3091673)
Show SMILES COc1cc2CCN(CC(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)Cc2cc1OC
Show InChI InChI=1S/C25H25N5O4/c1-33-22-7-15-5-6-30(12-16(15)8-23(22)34-2)13-24(31)28-17-3-4-21-19(9-17)20(25(32)29-21)10-18-11-26-14-27-18/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,26,27)(H,28,31)(H,29,32)/b20-10-
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PC cid
PC sid
UniChem
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n/an/a 274n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin) in presence of 10 uM ATP incubated for 1 hr by Z'Lyte assay


Eur J Med Chem 105: 274-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.020
BindingDB Entry DOI: 10.7270/Q23B6349
More data for this
Ligand-Target Pair