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BDBM50545100 CHEMBL1990482

SMILES: NC(=O)c1cccc2[nH]c(nc12)-c1ccncc1

InChI Key: InChIKey=CZIGMBNEFWBEMD-UHFFFAOYSA-N

Data: 5 KI  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 7 hits for monomerid = 50545100   
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 N2


(Homo sapiens (Human))
BDBM50545100
PNG
(CHEMBL1990482)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccncc1
Show InChI InChI=1S/C13H10N4O/c14-12(18)9-2-1-3-10-11(9)17-13(16-10)8-4-6-15-7-5-8/h1-7H,(H2,14,18)(H,16,17)
PDB

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KEGG

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UniChem
PubMed
30n/an/an/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Displacement of tracer from PKN2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Protein kinase N2


(Homo sapiens (Human))
BDBM50545100
PNG
(CHEMBL1990482)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccncc1
Show InChI InChI=1S/C13H10N4O/c14-12(18)9-2-1-3-10-11(9)17-13(16-10)8-4-6-15-7-5-8/h1-7H,(H2,14,18)(H,16,17)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
PubMed
40n/an/an/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of His/GST-tagged PKN2 (unknown origin) using biotinylated peptide as substrate measured after 1 hr in presence of [gamma-33P]-ATP by fluo...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1/Transforming protein RhoA


(Homo sapiens (Human))
BDBM50545100
PNG
(CHEMBL1990482)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccncc1
Show InChI InChI=1S/C13H10N4O/c14-12(18)9-2-1-3-10-11(9)17-13(16-10)8-4-6-15-7-5-8/h1-7H,(H2,14,18)(H,16,17)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem
PubMed
540n/an/an/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Displacement of tracer from PKN1 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50545100
PNG
(CHEMBL1990482)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccncc1
Show InChI InChI=1S/C13H10N4O/c14-12(18)9-2-1-3-10-11(9)17-13(16-10)8-4-6-15-7-5-8/h1-7H,(H2,14,18)(H,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem
PubMed
<1.00E+5n/an/an/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of His/GST-tagged CLK4 (unknown origin) using biotinylated peptide as substrate measured after 1 hr in presence of [gamma-33P]-ATP by fluo...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1/Transforming protein RhoA


(Homo sapiens (Human))
BDBM50545100
PNG
(CHEMBL1990482)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccncc1
Show InChI InChI=1S/C13H10N4O/c14-12(18)9-2-1-3-10-11(9)17-13(16-10)8-4-6-15-7-5-8/h1-7H,(H2,14,18)(H,16,17)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
PubMed
<1.00E+5n/an/an/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of His/GST-tagged PKN1 (unknown origin) using biotinylated peptide as substrate measured after 1 hr in presence of [gamma-33P]-ATP by fluo...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Protein kinase N2


(Homo sapiens (Human))
BDBM50545100
PNG
(CHEMBL1990482)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccncc1
Show InChI InChI=1S/C13H10N4O/c14-12(18)9-2-1-3-10-11(9)17-13(16-10)8-4-6-15-7-5-8/h1-7H,(H2,14,18)(H,16,17)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
PubMed
n/an/a 64n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Displacement of tracer from PKN2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N1/Transforming protein RhoA


(Homo sapiens (Human))
BDBM50545100
PNG
(CHEMBL1990482)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccncc1
Show InChI InChI=1S/C13H10N4O/c14-12(18)9-2-1-3-10-11(9)17-13(16-10)8-4-6-15-7-5-8/h1-7H,(H2,14,18)(H,16,17)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Displacement of tracer from PKN1 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair