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BDBM50302529 4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylpiperazin-1-yl)ethoxy)styryl)nicotinonitrile::CHEMBL568457

SMILES: CN1CCN(CCOc2ccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)cc2)CC1

InChI Key: InChIKey=JVSULVHQOCWQHQ-ZZXKWVIFSA-N

Data: 4 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 4 hits for monomerid = 50302529   
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 theta type


(Homo sapiens (Human))
BDBM50302529
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2ccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)cc2)CC1
Show InChI InChI=1S/C30H32N6O/c1-22-27-11-12-33-29(27)10-9-28(22)34-30-24(20-32-21-25(30)19-31)6-3-23-4-7-26(8-5-23)37-18-17-36-15-13-35(2)14-16-36/h3-12,20-21,33H,13-18H2,1-2H3,(H,32,34)/b6-3+
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60n/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
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302529
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2ccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)cc2)CC1
Show InChI InChI=1S/C30H32N6O/c1-22-27-11-12-33-29(27)10-9-28(22)34-30-24(20-32-21-25(30)19-31)6-3-23-4-7-26(8-5-23)37-18-17-36-15-13-35(2)14-16-36/h3-12,20-21,33H,13-18H2,1-2H3,(H,32,34)/b6-3+
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PC cid
PC sid
UniChem
Article
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n/an/a 41n/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
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302529
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2ccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)cc2)CC1
Show InChI InChI=1S/C30H32N6O/c1-22-27-11-12-33-29(27)10-9-28(22)34-30-24(20-32-21-25(30)19-31)6-3-23-4-7-26(8-5-23)37-18-17-36-15-13-35(2)14-16-36/h3-12,20-21,33H,13-18H2,1-2H3,(H,32,34)/b6-3+
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60n/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
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302529
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2ccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)cc2)CC1
Show InChI InChI=1S/C30H32N6O/c1-22-27-11-12-33-29(27)10-9-28(22)34-30-24(20-32-21-25(30)19-31)6-3-23-4-7-26(8-5-23)37-18-17-36-15-13-35(2)14-16-36/h3-12,20-21,33H,13-18H2,1-2H3,(H,32,34)/b6-3+
PDB
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/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