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BDBM50311963 6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-((4-methylpiperazin-1-ylsulfonyl)methyl)styryl)nicotinonitrile::CHEMBL1079427

SMILES: CN1CCN(CC1)S(=O)(=O)Cc1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1

InChI Key: InChIKey=ZQKCTEOSJBBWBB-BQYQJAHWSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50311963   
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))
BDBM50311963
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-((4-...)
Show SMILES CN1CCN(CC1)S(=O)(=O)Cc1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C30H32N6O2S/c1-21-26-11-12-32-29(26)10-9-28(21)34-30-25(18-31)19-33-22(2)27(30)8-7-23-5-4-6-24(17-23)20-39(37,38)36-15-13-35(3)14-16-36/h4-12,17,19,32H,13-16,20H2,1-3H3,(H,33,34)/b8-7+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 97n/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))
BDBM50311963
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-((4-...)
Show SMILES CN1CCN(CC1)S(=O)(=O)Cc1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C30H32N6O2S/c1-21-26-11-12-32-29(26)10-9-28(21)34-30-25(18-31)19-33-22(2)27(30)8-7-23-5-4-6-24(17-23)20-39(37,38)36-15-13-35(3)14-16-36/h4-12,17,19,32H,13-16,20H2,1-3H3,(H,33,34)/b8-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40n/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
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair