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BDBM50311956 6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(piperidin-1-ylsulfonyl)styryl)nicotinonitrile::CHEMBL1079566

SMILES: Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\c1cccc(c1)S(=O)(=O)N1CCCCC1

InChI Key: InChIKey=LIBYFWGPQJFMMW-MDZDMXLPSA-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 = 50311956   
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))
BDBM50311956
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(pip...)
Show SMILES Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\c1cccc(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C29H29N5O2S/c1-20-25-13-14-31-28(25)12-11-27(20)33-29-23(18-30)19-32-21(2)26(29)10-9-22-7-6-8-24(17-22)37(35,36)34-15-4-3-5-16-34/h6-14,17,19,31H,3-5,15-16H2,1-2H3,(H,32,33)/b10-9+
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 2.00E+3n/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))
BDBM50311956
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(pip...)
Show SMILES Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\c1cccc(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C29H29N5O2S/c1-20-25-13-14-31-28(25)12-11-27(20)33-29-23(18-30)19-32-21(2)26(29)10-9-22-7-6-8-24(17-22)37(35,36)34-15-4-3-5-16-34/h6-14,17,19,31H,3-5,15-16H2,1-2H3,(H,32,33)/b10-9+
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 4.80n/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