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BDBM50255312 2-(5-((dimethylamino)methyl)-2-methoxyphenyl)-4-(4-methyl-1H-indol-5-ylamino)thieno[2,3-b]pyridine-5-carbonitrile::CHEMBL516913

SMILES: COc1ccc(CN(C)C)cc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

InChI Key: InChIKey=GQKHMFJDTFXZNM-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50255312   
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
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50255312
PNG
(2-(5-((dimethylamino)methyl)-2-methoxyphenyl)-4-(4...)
Show SMILES COc1ccc(CN(C)C)cc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
Show InChI InChI=1S/C27H25N5OS/c1-16-19-9-10-29-23(19)7-6-22(16)31-26-18(13-28)14-30-27-21(26)12-25(34-27)20-11-17(15-32(2)3)5-8-24(20)33-4/h5-12,14,29H,15H2,1-4H3,(H,30,31)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Lyn


Bioorg Med Chem Lett 19: 766-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.021
BindingDB Entry DOI: 10.7270/Q2KW5FX7
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50255312
PNG
(2-(5-((dimethylamino)methyl)-2-methoxyphenyl)-4-(4...)
Show SMILES COc1ccc(CN(C)C)cc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
Show InChI InChI=1S/C27H25N5OS/c1-16-19-9-10-29-23(19)7-6-22(16)31-26-18(13-28)14-30-27-21(26)12-25(34-27)20-11-17(15-32(2)3)5-8-24(20)33-4/h5-12,14,29H,15H2,1-4H3,(H,30,31)
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PC sid
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Article
PubMed
n/an/a 8.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human full length PKCtheta


Bioorg Med Chem Lett 19: 766-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.021
BindingDB Entry DOI: 10.7270/Q2KW5FX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50255312
PNG
(2-(5-((dimethylamino)methyl)-2-methoxyphenyl)-4-(4...)
Show SMILES COc1ccc(CN(C)C)cc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
Show InChI InChI=1S/C27H25N5OS/c1-16-19-9-10-29-23(19)7-6-22(16)31-26-18(13-28)14-30-27-21(26)12-25(34-27)20-11-17(15-32(2)3)5-8-24(20)33-4/h5-12,14,29H,15H2,1-4H3,(H,30,31)
PDB

UniProtKB/SwissProt

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 Lck


Bioorg Med Chem Lett 19: 766-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.021
BindingDB Entry DOI: 10.7270/Q2KW5FX7
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50255312
PNG
(2-(5-((dimethylamino)methyl)-2-methoxyphenyl)-4-(4...)
Show SMILES COc1ccc(CN(C)C)cc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
Show InChI InChI=1S/C27H25N5OS/c1-16-19-9-10-29-23(19)7-6-22(16)31-26-18(13-28)14-30-27-21(26)12-25(34-27)20-11-17(15-32(2)3)5-8-24(20)33-4/h5-12,14,29H,15H2,1-4H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human full length PKCdelta


Bioorg Med Chem Lett 19: 766-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.021
BindingDB Entry DOI: 10.7270/Q2KW5FX7
More data for this
Ligand-Target Pair