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BDBM50311960 4-(4-methyl-1H-indol-5-ylamino)-5-(4-((4-methylpiperazin-1-ylsulfonyl)methyl)styryl)nicotinonitrile::CHEMBL1081920

SMILES: CN1CCN(CC1)S(=O)(=O)Cc1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1

InChI Key: InChIKey=PHDOQFYDQFLEMJ-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 = 50311960   
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))
BDBM50311960
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-((4-methylpip...)
Show SMILES CN1CCN(CC1)S(=O)(=O)Cc1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1
Show InChI InChI=1S/C29H30N6O2S/c1-21-26-11-12-32-28(26)10-9-27(21)33-29-24(18-31-19-25(29)17-30)8-7-22-3-5-23(6-4-22)20-38(36,37)35-15-13-34(2)14-16-35/h3-12,18-19,32H,13-16,20H2,1-2H3,(H,31,33)/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 320n/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))
BDBM50311960
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-((4-methylpip...)
Show SMILES CN1CCN(CC1)S(=O)(=O)Cc1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1
Show InChI InChI=1S/C29H30N6O2S/c1-21-26-11-12-32-28(26)10-9-27(21)33-29-24(18-31-19-25(29)17-30)8-7-22-3-5-23(6-4-22)20-38(36,37)35-15-13-34(2)14-16-35/h3-12,18-19,32H,13-16,20H2,1-2H3,(H,31,33)/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 7.90n/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