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BDBM50263217 4-(4-methyl-1H-indol-5-ylamino)-2-(3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl)thieno[2,3-b]pyridine-5-carbonitrile::CHEMBL477405

SMILES: CN1CCN(CC1)C(=O)\C=C\c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

InChI Key: InChIKey=HHLNVCKLKSYSJN-ZZXKWVIFSA-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 = 50263217   
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))
BDBM50263217
PNG
(4-(4-methyl-1H-indol-5-ylamino)-2-(3-(4-methylpipe...)
Show SMILES CN1CCN(CC1)C(=O)\C=C\c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
Show InChI InChI=1S/C25H24N6OS/c1-16-19-7-8-27-22(19)5-4-21(16)29-24-17(14-26)15-28-25-20(24)13-18(33-25)3-6-23(32)31-11-9-30(2)10-12-31/h3-8,13,15,27H,9-12H2,1-2H3,(H,28,29)/b6-3+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/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))
BDBM50263217
PNG
(4-(4-methyl-1H-indol-5-ylamino)-2-(3-(4-methylpipe...)
Show SMILES CN1CCN(CC1)C(=O)\C=C\c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
Show InChI InChI=1S/C25H24N6OS/c1-16-19-7-8-27-22(19)5-4-21(16)29-24-17(14-26)15-28-25-20(24)13-18(33-25)3-6-23(32)31-11-9-30(2)10-12-31/h3-8,13,15,27H,9-12H2,1-2H3,(H,28,29)/b6-3+
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 73n/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