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BDBM50311951 4-(4-methyl-1H-indol-5-ylamino)-5-(3-(pyrrolidin-1-ylsulfonyl)styryl)nicotinonitrile::CHEMBL1081358

SMILES: Cc1c(Nc2c(\C=C\c3cccc(c3)S(=O)(=O)N3CCCC3)cncc2C#N)ccc2[nH]ccc12

InChI Key: InChIKey=XPKKUXKJOCVNEJ-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 = 50311951   
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))
BDBM50311951
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(pyrrolidin-1...)
Show SMILES Cc1c(Nc2c(\C=C\c3cccc(c3)S(=O)(=O)N3CCCC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C27H25N5O2S/c1-19-24-11-12-30-26(24)10-9-25(19)31-27-21(17-29-18-22(27)16-28)8-7-20-5-4-6-23(15-20)35(33,34)32-13-2-3-14-32/h4-12,15,17-18,30H,2-3,13-14H2,1H3,(H,29,31)/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 120n/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))
BDBM50311951
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(pyrrolidin-1...)
Show SMILES Cc1c(Nc2c(\C=C\c3cccc(c3)S(=O)(=O)N3CCCC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C27H25N5O2S/c1-19-24-11-12-30-26(24)10-9-25(19)31-27-21(17-29-18-22(27)16-28)8-7-20-5-4-6-23(15-20)35(33,34)32-13-2-3-14-32/h4-12,15,17-18,30H,2-3,13-14H2,1H3,(H,29,31)/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 6n/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