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BDBM50263173 (R)-2-(3-(3-(dimethylamino)pyrrolidin-1-yl)-3-oxoprop-1-enyl)-4-(4-methyl-1H-indol-5-ylamino)thieno[2,3-b]pyridine-5-carbonitrile::CHEMBL514533

SMILES: CN(C)[C@@H]1CCN(C1)C(=O)\C=C\c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

InChI Key: InChIKey=XEAWPTQREKCGSA-WEBJUUICSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50263173   
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))
BDBM50263173
PNG
((R)-2-(3-(3-(dimethylamino)pyrrolidin-1-yl)-3-oxop...)
Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)\C=C\c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N |r|
Show InChI InChI=1S/C26H26N6OS/c1-16-20-8-10-28-23(20)6-5-22(16)30-25-17(13-27)14-29-26-21(25)12-19(34-26)4-7-24(33)32-11-9-18(15-32)31(2)3/h4-8,10,12,14,18,28H,9,11,15H2,1-3H3,(H,29,30)/b7-4+/t18-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 18: 4420-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.040
BindingDB Entry DOI: 10.7270/Q2WS8T2G
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50263173
PNG
((R)-2-(3-(3-(dimethylamino)pyrrolidin-1-yl)-3-oxop...)
Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)\C=C\c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N |r|
Show InChI InChI=1S/C26H26N6OS/c1-16-20-8-10-28-23(20)6-5-22(16)30-25-17(13-27)14-29-26-21(25)12-19(34-26)4-7-24(33)32-11-9-18(15-32)31(2)3/h4-8,10,12,14,18,28H,9,11,15H2,1-3H3,(H,29,30)/b7-4+/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta


Bioorg Med Chem Lett 18: 4420-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.040
BindingDB Entry DOI: 10.7270/Q2WS8T2G
More data for this
Ligand-Target Pair