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BDBM50311957 6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(4-(4-methylpiperazin-1-ylsulfonyl)styryl)nicotinonitrile::CHEMBL1079567

SMILES: CN1CCN(CC1)S(=O)(=O)c1ccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1

InChI Key: InChIKey=BOBBYUSYHORXQS-RMKNXTFCSA-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 = 50311957   
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))
BDBM50311957
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(4-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-12-13-31-28(25)11-10-27(20)33-29-23(18-30)19-32-21(2)26(29)9-6-22-4-7-24(8-5-22)38(36,37)35-16-14-34(3)15-17-35/h4-13,19,31H,14-17H2,1-3H3,(H,32,33)/b9-6+
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 4.40E+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))
BDBM50311957
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(4-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-12-13-31-28(25)11-10-27(20)33-29-23(18-30)19-32-21(2)26(29)9-6-22-4-7-24(8-5-22)38(36,37)35-16-14-34(3)15-17-35/h4-13,19,31H,14-17H2,1-3H3,(H,32,33)/b9-6+
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 9.30n/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