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BDBM50311985 3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol::CHEMBL1087650

SMILES: CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1

InChI Key: InChIKey=MZPDPRITYJNRSG-ZEQRLZLVSA-N

Data: 24 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 24 hits for monomerid = 50311985   
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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 2.46E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 0.380n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 2.55E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 2.84E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 1.86E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 0.380n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 563n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ABL1


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 2.64E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 9.51E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CK1gamma1


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 1.94E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of FYN


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GCK


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 1.24E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCK


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 1.76E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of LYN


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Met


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 1.71E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 6.56E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 119n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCbeta


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 1.76E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 9.71E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of RSk1


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 675n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of SRC


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 69n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of IKKalpha


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair