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BDBM50302507 4-(4-methyl-1H-indol-5-ylamino)-5-(3-(2-(4-methylpiperazin-1-yl)ethoxy)styryl)nicotinonitrile::CHEMBL567124

SMILES: CN1CCN(CCOc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1

InChI Key: InChIKey=TUKOILYAIRACKC-VOTSOKGWSA-N

Data: 10 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 10 hits for monomerid = 50302507   
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))
BDBM50302507
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1
Show InChI InChI=1S/C30H32N6O/c1-22-27-10-11-33-29(27)9-8-28(22)34-30-24(20-32-21-25(30)19-31)7-6-23-4-3-5-26(18-23)37-17-16-36-14-12-35(2)13-15-36/h3-11,18,20-21,33H,12-17H2,1-2H3,(H,32,34)/b7-6+
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n/an/a 330n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCeta by IMAP kinase assay


Bioorg Med Chem Lett 19: 5829-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.086
BindingDB Entry DOI: 10.7270/Q2ZS2WKC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50302507
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1
Show InChI InChI=1S/C30H32N6O/c1-22-27-10-11-33-29(27)9-8-28(22)34-30-24(20-32-21-25(30)19-31)7-6-23-4-3-5-26(18-23)37-17-16-36-14-12-35(2)13-15-36/h3-11,18,20-21,33H,12-17H2,1-2H3,(H,32,34)/b7-6+
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n/an/a>8.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 5829-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.086
BindingDB Entry DOI: 10.7270/Q2ZS2WKC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50302507
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1
Show InChI InChI=1S/C30H32N6O/c1-22-27-10-11-33-29(27)9-8-28(22)34-30-24(20-32-21-25(30)19-31)7-6-23-4-3-5-26(18-23)37-17-16-36-14-12-35(2)13-15-36/h3-11,18,20-21,33H,12-17H2,1-2H3,(H,32,34)/b7-6+
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n/an/a>8.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 19: 5829-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.086
BindingDB Entry DOI: 10.7270/Q2ZS2WKC
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50302507
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1
Show InChI InChI=1S/C30H32N6O/c1-22-27-10-11-33-29(27)9-8-28(22)34-30-24(20-32-21-25(30)19-31)7-6-23-4-3-5-26(18-23)37-17-16-36-14-12-35(2)13-15-36/h3-11,18,20-21,33H,12-17H2,1-2H3,(H,32,34)/b7-6+
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCepsilon by IMAP kinase assay


Bioorg Med Chem Lett 19: 5829-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.086
BindingDB Entry DOI: 10.7270/Q2ZS2WKC
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302507
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1
Show InChI InChI=1S/C30H32N6O/c1-22-27-10-11-33-29(27)9-8-28(22)34-30-24(20-32-21-25(30)19-31)7-6-23-4-3-5-26(18-23)37-17-16-36-14-12-35(2)13-15-36/h3-11,18,20-21,33H,12-17H2,1-2H3,(H,32,34)/b7-6+
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n/an/a 53n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP kinase assay


Bioorg Med Chem Lett 19: 5829-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.086
BindingDB Entry DOI: 10.7270/Q2ZS2WKC
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50302507
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1
Show InChI InChI=1S/C30H32N6O/c1-22-27-10-11-33-29(27)9-8-28(22)34-30-24(20-32-21-25(30)19-31)7-6-23-4-3-5-26(18-23)37-17-16-36-14-12-35(2)13-15-36/h3-11,18,20-21,33H,12-17H2,1-2H3,(H,32,34)/b7-6+
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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 PKCzeta by IMAP kinase assay


Bioorg Med Chem Lett 19: 5829-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.086
BindingDB Entry DOI: 10.7270/Q2ZS2WKC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50302507
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1
Show InChI InChI=1S/C30H32N6O/c1-22-27-10-11-33-29(27)9-8-28(22)34-30-24(20-32-21-25(30)19-31)7-6-23-4-3-5-26(18-23)37-17-16-36-14-12-35(2)13-15-36/h3-11,18,20-21,33H,12-17H2,1-2H3,(H,32,34)/b7-6+
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n/an/a 520n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Lyn


Bioorg Med Chem Lett 19: 5829-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.086
BindingDB Entry DOI: 10.7270/Q2ZS2WKC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50302507
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1
Show InChI InChI=1S/C30H32N6O/c1-22-27-10-11-33-29(27)9-8-28(22)34-30-24(20-32-21-25(30)19-31)7-6-23-4-3-5-26(18-23)37-17-16-36-14-12-35(2)13-15-36/h3-11,18,20-21,33H,12-17H2,1-2H3,(H,32,34)/b7-6+
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n/an/a 520n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5829-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.086
BindingDB Entry DOI: 10.7270/Q2ZS2WKC
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302507
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1
Show InChI InChI=1S/C30H32N6O/c1-22-27-10-11-33-29(27)9-8-28(22)34-30-24(20-32-21-25(30)19-31)7-6-23-4-3-5-26(18-23)37-17-16-36-14-12-35(2)13-15-36/h3-11,18,20-21,33H,12-17H2,1-2H3,(H,32,34)/b7-6+
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n/an/a 4.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP kinase assay


Bioorg Med Chem Lett 19: 5829-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.086
BindingDB Entry DOI: 10.7270/Q2ZS2WKC
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50302507
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1
Show InChI InChI=1S/C30H32N6O/c1-22-27-10-11-33-29(27)9-8-28(22)34-30-24(20-32-21-25(30)19-31)7-6-23-4-3-5-26(18-23)37-17-16-36-14-12-35(2)13-15-36/h3-11,18,20-21,33H,12-17H2,1-2H3,(H,32,34)/b7-6+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCbeta by IMAP kinase assay


Bioorg Med Chem Lett 19: 5829-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.086
BindingDB Entry DOI: 10.7270/Q2ZS2WKC
More data for this
Ligand-Target Pair