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BDBM50059656 CHEMBL3393601

SMILES: O\N=C1\c2ccccc2-c2nc3ccccc3nc12

InChI Key: InChIKey=SZHHSFHOIDCNLD-JXAWBTAJSA-N

Data: 6 Kd

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 = 50059656   
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
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50059656
PNG
(CHEMBL3393601)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C15H9N3O/c19-18-14-10-6-2-1-5-9(10)13-15(14)17-12-8-4-3-7-11(12)16-13/h1-8,19H/b18-14-
PDB

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 380n/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of CK1delta (unknown origin) by KINOMEScan assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50059656
PNG
(CHEMBL3393601)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C15H9N3O/c19-18-14-10-6-2-1-5-9(10)13-15(14)17-12-8-4-3-7-11(12)16-13/h1-8,19H/b18-14-
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 470n/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) by KINOMEScan assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50059656
PNG
(CHEMBL3393601)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C15H9N3O/c19-18-14-10-6-2-1-5-9(10)13-15(14)17-12-8-4-3-7-11(12)16-13/h1-8,19H/b18-14-
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 240n/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin)


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50059656
PNG
(CHEMBL3393601)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C15H9N3O/c19-18-14-10-6-2-1-5-9(10)13-15(14)17-12-8-4-3-7-11(12)16-13/h1-8,19H/b18-14-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 920n/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of MKNK2 (unknown origin) by KINOMEScan assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50059656
PNG
(CHEMBL3393601)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C15H9N3O/c19-18-14-10-6-2-1-5-9(10)13-15(14)17-12-8-4-3-7-11(12)16-13/h1-8,19H/b18-14-
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 360n/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin)


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50059656
PNG
(CHEMBL3393601)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C15H9N3O/c19-18-14-10-6-2-1-5-9(10)13-15(14)17-12-8-4-3-7-11(12)16-13/h1-8,19H/b18-14-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 100n/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of human full-length GST-tagged JNK3 using [gamma33P]ATP assessed as phosphorylation of GST-ATF2


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
More data for this
Ligand-Target Pair