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BDBM50305881 (S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine::CHEMBL596290

SMILES: Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1

InChI Key: InChIKey=FULBTJANHDAKTA-SFHVURJKSA-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 = 50305881   
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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50305881
PNG
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C26H23N7O2/c1-15-24-26(33-32-15)30-12-23(31-24)21-9-19(11-29-25(21)16-6-7-34-13-16)35-14-18(27)8-17-10-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,30,32,33)/t18-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 20: 679-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM50305881
PNG
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C26H23N7O2/c1-15-24-26(33-32-15)30-12-23(31-24)21-9-19(11-29-25(21)16-6-7-34-13-16)35-14-18(27)8-17-10-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,30,32,33)/t18-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 20: 679-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50305881
PNG
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C26H23N7O2/c1-15-24-26(33-32-15)30-12-23(31-24)21-9-19(11-29-25(21)16-6-7-34-13-16)35-14-18(27)8-17-10-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,30,32,33)/t18-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 679-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50305881
PNG
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C26H23N7O2/c1-15-24-26(33-32-15)30-12-23(31-24)21-9-19(11-29-25(21)16-6-7-34-13-16)35-14-18(27)8-17-10-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,30,32,33)/t18-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta phosphorylation in human BT474 cells


Bioorg Med Chem Lett 20: 679-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50305881
PNG
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C26H23N7O2/c1-15-24-26(33-32-15)30-12-23(31-24)21-9-19(11-29-25(21)16-6-7-34-13-16)35-14-18(27)8-17-10-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,30,32,33)/t18-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 20: 679-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F
More data for this
Ligand-Target Pair