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BDBM50258822 4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)nicotinonitrile::CHEMBL467069

SMILES: CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1

InChI Key: InChIKey=LTGPAFCQBMWTBC-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50258822   
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, eta


(Homo sapiens (Human))
BDBM50258822
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C28H30N6O/c1-20-24-9-10-31-27(24)8-7-26(20)32-28-22(17-29)18-30-19-25(28)21-3-5-23(6-4-21)35-16-15-34-13-11-33(2)12-14-34/h3-10,18-19,31H,11-16H2,1-2H3,(H,30,32)
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n/an/a 450n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCeta by IMAP assay


Bioorg Med Chem Lett 19: 3623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.126
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50258822
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C28H30N6O/c1-20-24-9-10-31-27(24)8-7-26(20)32-28-22(17-29)18-30-19-25(28)21-3-5-23(6-4-21)35-16-15-34-13-11-33(2)12-14-34/h3-10,18-19,31H,11-16H2,1-2H3,(H,30,32)
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n/an/a 7.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP assay


Bioorg Med Chem Lett 19: 3623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.126
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50258822
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C28H30N6O/c1-20-24-9-10-31-27(24)8-7-26(20)32-28-22(17-29)18-30-19-25(28)21-3-5-23(6-4-21)35-16-15-34-13-11-33(2)12-14-34/h3-10,18-19,31H,11-16H2,1-2H3,(H,30,32)
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n/an/a 51n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCdelta by IMAP assay


Bioorg Med Chem Lett 19: 3623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.126
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50258822
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C28H30N6O/c1-20-24-9-10-31-27(24)8-7-26(20)32-28-22(17-29)18-30-19-25(28)21-3-5-23(6-4-21)35-16-15-34-13-11-33(2)12-14-34/h3-10,18-19,31H,11-16H2,1-2H3,(H,30,32)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCbeta by IMAP assay


Bioorg Med Chem Lett 19: 3623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.126
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50258822
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C28H30N6O/c1-20-24-9-10-31-27(24)8-7-26(20)32-28-22(17-29)18-30-19-25(28)21-3-5-23(6-4-21)35-16-15-34-13-11-33(2)12-14-34/h3-10,18-19,31H,11-16H2,1-2H3,(H,30,32)
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n/an/a 54n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCepsilon by IMAP assay


Bioorg Med Chem Lett 19: 3623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.126
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50258822
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C28H30N6O/c1-20-24-9-10-31-27(24)8-7-26(20)32-28-22(17-29)18-30-19-25(28)21-3-5-23(6-4-21)35-16-15-34-13-11-33(2)12-14-34/h3-10,18-19,31H,11-16H2,1-2H3,(H,30,32)
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n/an/a 51n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50258822
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C28H30N6O/c1-20-24-9-10-31-27(24)8-7-26(20)32-28-22(17-29)18-30-19-25(28)21-3-5-23(6-4-21)35-16-15-34-13-11-33(2)12-14-34/h3-10,18-19,31H,11-16H2,1-2H3,(H,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Lyn


Bioorg Med Chem Lett 19: 3623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.126
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50258822
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C28H30N6O/c1-20-24-9-10-31-27(24)8-7-26(20)32-28-22(17-29)18-30-19-25(28)21-3-5-23(6-4-21)35-16-15-34-13-11-33(2)12-14-34/h3-10,18-19,31H,11-16H2,1-2H3,(H,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 3623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.126
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50258822
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C28H30N6O/c1-20-24-9-10-31-27(24)8-7-26(20)32-28-22(17-29)18-30-19-25(28)21-3-5-23(6-4-21)35-16-15-34-13-11-33(2)12-14-34/h3-10,18-19,31H,11-16H2,1-2H3,(H,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 3623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.126
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50258822
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C28H30N6O/c1-20-24-9-10-31-27(24)8-7-26(20)32-28-22(17-29)18-30-19-25(28)21-3-5-23(6-4-21)35-16-15-34-13-11-33(2)12-14-34/h3-10,18-19,31H,11-16H2,1-2H3,(H,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 19: 3623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.126
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50258822
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C28H30N6O/c1-20-24-9-10-31-27(24)8-7-26(20)32-28-22(17-29)18-30-19-25(28)21-3-5-23(6-4-21)35-16-15-34-13-11-33(2)12-14-34/h3-10,18-19,31H,11-16H2,1-2H3,(H,30,32)
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n/an/a 7.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50258822
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C28H30N6O/c1-20-24-9-10-31-27(24)8-7-26(20)32-28-22(17-29)18-30-19-25(28)21-3-5-23(6-4-21)35-16-15-34-13-11-33(2)12-14-34/h3-10,18-19,31H,11-16H2,1-2H3,(H,30,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta by IMAP assay


Bioorg Med Chem Lett 19: 3623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.126
More data for this
Ligand-Target Pair