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BDBM50311966 4-(4-methyl-1H-indol-5-ylamino)-5-(4-(piperidin-1-ylsulfonyl)styryl)nicotinonitrile::CHEMBL1079612

SMILES: Cc1c(Nc2c(\C=C\c3ccc(cc3)S(=O)(=O)N3CCCCC3)cncc2C#N)ccc2[nH]ccc12

InChI Key: InChIKey=YXVARNRQCDABTC-VMPITWQZSA-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 = 50311966   
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))
BDBM50311966
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(piperidin-1-...)
Show SMILES Cc1c(Nc2c(\C=C\c3ccc(cc3)S(=O)(=O)N3CCCCC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C28H27N5O2S/c1-20-25-13-14-31-27(25)12-11-26(20)32-28-22(18-30-19-23(28)17-29)8-5-21-6-9-24(10-7-21)36(34,35)33-15-3-2-4-16-33/h5-14,18-19,31H,2-4,15-16H2,1H3,(H,30,32)/b8-5+
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 12n/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))
BDBM50311966
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(piperidin-1-...)
Show SMILES Cc1c(Nc2c(\C=C\c3ccc(cc3)S(=O)(=O)N3CCCCC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C28H27N5O2S/c1-20-25-13-14-31-27(25)12-11-26(20)32-28-22(18-30-19-23(28)17-29)8-5-21-6-9-24(10-7-21)36(34,35)33-15-3-2-4-16-33/h5-14,18-19,31H,2-4,15-16H2,1H3,(H,30,32)/b8-5+
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+4n/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