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BDBM50059655 CHEMBL3393603

SMILES: COc1ccc(cc1OC)C(=O)O\N=C1\c2ccccc2-c2nc3ccccc3nc12

InChI Key: InChIKey=VMVANPCSWYULOT-QYQHSDTDSA-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 = 50059655   
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
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50059655
PNG
(CHEMBL3393603)
Show SMILES COc1ccc(cc1OC)C(=O)O\N=C1\c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C24H17N3O4/c1-29-19-12-11-14(13-20(19)30-2)24(28)31-27-22-16-8-4-3-7-15(16)21-23(22)26-18-10-6-5-9-17(18)25-21/h3-13H,1-2H3/b27-22-
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 280n/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
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50059655
PNG
(CHEMBL3393603)
Show SMILES COc1ccc(cc1OC)C(=O)O\N=C1\c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C24H17N3O4/c1-29-19-12-11-14(13-20(19)30-2)24(28)31-27-22-16-8-4-3-7-15(16)21-23(22)26-18-10-6-5-9-17(18)25-21/h3-13H,1-2H3/b27-22-
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 5.70E+3n/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
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50059655
PNG
(CHEMBL3393603)
Show SMILES COc1ccc(cc1OC)C(=O)O\N=C1\c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C24H17N3O4/c1-29-19-12-11-14(13-20(19)30-2)24(28)31-27-22-16-8-4-3-7-15(16)21-23(22)26-18-10-6-5-9-17(18)25-21/h3-13H,1-2H3/b27-22-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 64n/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
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50059655
PNG
(CHEMBL3393603)
Show SMILES COc1ccc(cc1OC)C(=O)O\N=C1\c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C24H17N3O4/c1-29-19-12-11-14(13-20(19)30-2)24(28)31-27-22-16-8-4-3-7-15(16)21-23(22)26-18-10-6-5-9-17(18)25-21/h3-13H,1-2H3/b27-22-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.00E+4n/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50059655
PNG
(CHEMBL3393603)
Show SMILES COc1ccc(cc1OC)C(=O)O\N=C1\c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C24H17N3O4/c1-29-19-12-11-14(13-20(19)30-2)24(28)31-27-22-16-8-4-3-7-15(16)21-23(22)26-18-10-6-5-9-17(18)25-21/h3-13H,1-2H3/b27-22-
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 270n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50059655
PNG
(CHEMBL3393603)
Show SMILES COc1ccc(cc1OC)C(=O)O\N=C1\c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C24H17N3O4/c1-29-19-12-11-14(13-20(19)30-2)24(28)31-27-22-16-8-4-3-7-15(16)21-23(22)26-18-10-6-5-9-17(18)25-21/h3-13H,1-2H3/b27-22-
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 1.20E+4n/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