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BDBM50154343 CHEMBL3775393

SMILES: O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1

InChI Key: InChIKey=TWNKLQGDXMYCCB-WTKPLQERSA-N

Data: 12 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 12 hits for monomerid = 50154343   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
PDB
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KEGG

UniProtKB/SwissProt

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n/an/a>1.00E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) incubated for 15 mins in presence of [gamma-32P]ATP


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
PDB
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NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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n/an/a 200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged DYRK2 expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2 as substrate incub...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem

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n/an/a 70n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human GST-tagged DYRK1B expressed in insect cells using KKISGRLSPIMTEQ-NH2 as substrate incubated for 15 mins i...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
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n/an/a 40n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
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n/an/a 9.20E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PKCbeta (unknown origin) incubated for 15 mins in presence of [gamma-32P]ATP


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
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n/an/a 2.10E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of tetracycline-inducible EGFP-DYRK1A (unknown origin) expressed in HEK293 cells coexpressing full length human EGFP-tau protein assessed ...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
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n/an/a 2.20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
PDB
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n/an/a 12n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta (unknown origin)


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
PDB
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NCI pathway
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n/an/a 2.30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma (unknown origin)


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 100n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CLK1 catalytic domain (129 to 484 residues) expressed in Escherichia coli using GRSRSRSRSRSRSRSR as substr...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem

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PubMed
n/an/a 32n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human GST-tagged CLK4 expressed in baculovirus expression system by lantha screen kinase binding assay


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PubMed
n/an/a 255n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of Haspin (unknown origin)


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair