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BDBM50059657 CHEMBL3393602

SMILES: O=C(O\N=C1\c2ccccc2-c2nc3ccccc3nc12)c1ccco1

InChI Key: InChIKey=WBSWWONMTZEOGS-NKFKGCMQSA-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 = 50059657   
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))
BDBM50059657
PNG
(CHEMBL3393602)
Show SMILES O=C(O\N=C1\c2ccccc2-c2nc3ccccc3nc12)c1ccco1
Show InChI InChI=1S/C20H11N3O3/c24-20(16-10-5-11-25-16)26-23-18-13-7-2-1-6-12(13)17-19(18)22-15-9-4-3-8-14(15)21-17/h1-11H/b23-18-
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 560n/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))
BDBM50059657
PNG
(CHEMBL3393602)
Show SMILES O=C(O\N=C1\c2ccccc2-c2nc3ccccc3nc12)c1ccco1
Show InChI InChI=1S/C20H11N3O3/c24-20(16-10-5-11-25-16)26-23-18-13-7-2-1-6-12(13)17-19(18)22-15-9-4-3-8-14(15)21-17/h1-11H/b23-18-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 430n/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
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50059657
PNG
(CHEMBL3393602)
Show SMILES O=C(O\N=C1\c2ccccc2-c2nc3ccccc3nc12)c1ccco1
Show InChI InChI=1S/C20H11N3O3/c24-20(16-10-5-11-25-16)26-23-18-13-7-2-1-6-12(13)17-19(18)22-15-9-4-3-8-14(15)21-17/h1-11H/b23-18-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 290n/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))
BDBM50059657
PNG
(CHEMBL3393602)
Show SMILES O=C(O\N=C1\c2ccccc2-c2nc3ccccc3nc12)c1ccco1
Show InChI InChI=1S/C20H11N3O3/c24-20(16-10-5-11-25-16)26-23-18-13-7-2-1-6-12(13)17-19(18)22-15-9-4-3-8-14(15)21-17/h1-11H/b23-18-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 66n/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50059657
PNG
(CHEMBL3393602)
Show SMILES O=C(O\N=C1\c2ccccc2-c2nc3ccccc3nc12)c1ccco1
Show InChI InChI=1S/C20H11N3O3/c24-20(16-10-5-11-25-16)26-23-18-13-7-2-1-6-12(13)17-19(18)22-15-9-4-3-8-14(15)21-17/h1-11H/b23-18-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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))
BDBM50059657
PNG
(CHEMBL3393602)
Show SMILES O=C(O\N=C1\c2ccccc2-c2nc3ccccc3nc12)c1ccco1
Show InChI InChI=1S/C20H11N3O3/c24-20(16-10-5-11-25-16)26-23-18-13-7-2-1-6-12(13)17-19(18)22-15-9-4-3-8-14(15)21-17/h1-11H/b23-18-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.20E+3n/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