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BDBM50313596 (E)-5-(2-(6-((4-(dimethylamino)piperidin-1-yl)methyl)pyridin-2-yl)vinyl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile::CHEMBL1088737

SMILES: CN(C)C1CCN(Cc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)n2)CC1

InChI Key: InChIKey=ICQQDVZUHPTFPS-BQYQJAHWSA-N

Data: 2 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 2 hits for monomerid = 50313596   
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 delta type


(Homo sapiens (Human))
BDBM50313596
PNG
((E)-5-(2-(6-((4-(dimethylamino)piperidin-1-yl)meth...)
Show SMILES CN(C)C1CCN(Cc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)n2)CC1
Show InChI InChI=1S/C30H33N7/c1-21-27-11-14-33-29(27)10-9-28(21)35-30-22(18-32-19-23(30)17-31)7-8-24-5-4-6-25(34-24)20-37-15-12-26(13-16-37)36(2)3/h4-11,14,18-19,26,33H,12-13,15-16,20H2,1-3H3,(H,32,35)/b8-7+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta


Bioorg Med Chem Lett 20: 1965-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.119
BindingDB Entry DOI: 10.7270/Q2H70FX5
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50313596
PNG
((E)-5-(2-(6-((4-(dimethylamino)piperidin-1-yl)meth...)
Show SMILES CN(C)C1CCN(Cc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)n2)CC1
Show InChI InChI=1S/C30H33N7/c1-21-27-11-14-33-29(27)10-9-28(21)35-30-22(18-32-19-23(30)17-31)7-8-24-5-4-6-25(34-24)20-37-15-12-26(13-16-37)36(2)3/h4-11,14,18-19,26,33H,12-13,15-16,20H2,1-3H3,(H,32,35)/b8-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.840n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 20: 1965-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.119
BindingDB Entry DOI: 10.7270/Q2H70FX5
More data for this
Ligand-Target Pair