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BDBM50154341 CHEMBL3775754

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

InChI Key: InChIKey=KVKWXEDCCDYLBI-BAQGIRSFSA-N

Data: 6 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 6 hits for monomerid = 50154341   
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))
BDBM50154341
PNG
(CHEMBL3775754)
Show SMILES O=C1NC(=S)N\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H7N3OS2/c15-10-8(13-11(16)14-10)3-6-1-2-7-9(4-6)17-5-12-7/h1-5H,(H2,13,14,15,16)/b8-3-
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
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))
BDBM50154341
PNG
(CHEMBL3775754)
Show SMILES O=C1NC(=S)N\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H7N3OS2/c15-10-8(13-11(16)14-10)3-6-1-2-7-9(4-6)17-5-12-7/h1-5H,(H2,13,14,15,16)/b8-3-
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.50E+3n/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 protein kinase CLK1


(Homo sapiens (Human))
BDBM50154341
PNG
(CHEMBL3775754)
Show SMILES O=C1NC(=S)N\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H7N3OS2/c15-10-8(13-11(16)14-10)3-6-1-2-7-9(4-6)17-5-12-7/h1-5H,(H2,13,14,15,16)/b8-3-
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 20n/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 tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50154341
PNG
(CHEMBL3775754)
Show SMILES O=C1NC(=S)N\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H7N3OS2/c15-10-8(13-11(16)14-10)3-6-1-2-7-9(4-6)17-5-12-7/h1-5H,(H2,13,14,15,16)/b8-3-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 700n/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
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50154341
PNG
(CHEMBL3775754)
Show SMILES O=C1NC(=S)N\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H7N3OS2/c15-10-8(13-11(16)14-10)3-6-1-2-7-9(4-6)17-5-12-7/h1-5H,(H2,13,14,15,16)/b8-3-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a>1.00E+4n/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 1B


(Homo sapiens (Human))
BDBM50154341
PNG
(CHEMBL3775754)
Show SMILES O=C1NC(=S)N\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H7N3OS2/c15-10-8(13-11(16)14-10)3-6-1-2-7-9(4-6)17-5-12-7/h1-5H,(H2,13,14,15,16)/b8-3-
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 900n/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